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1H-Pyrazol-1-amine, also known as aminopyrazole, is an organic chemical compound characterized by its heterocyclic pyrazole ring structure with the molecular formula C3H5N3. It serves as a versatile precursor and intermediate in the synthesis of various pharmaceuticals and is valued for its amine properties, which make it suitable for a range of chemical applications.

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  • 3994-46-5 Structure
  • Basic information

    1. Product Name: 1H-Pyrazol-1-amine
    2. Synonyms: 1H-Pyrazol-1-amine;N-aminopyrazole
    3. CAS NO:3994-46-5
    4. Molecular Formula: C3H5N3
    5. Molecular Weight: 83.0935
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 3994-46-5.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 209.822°C at 760 mmHg
    3. Flash Point: 80.698°C
    4. Appearance: /
    5. Density: 1.299g/cm3
    6. Vapor Pressure: 0.199mmHg at 25°C
    7. Refractive Index: 1.63
    8. Storage Temp.: 2-8°C(protect from light)
    9. Solubility: N/A
    10. CAS DataBase Reference: 1H-Pyrazol-1-amine(CAS DataBase Reference)
    11. NIST Chemistry Reference: 1H-Pyrazol-1-amine(3994-46-5)
    12. EPA Substance Registry System: 1H-Pyrazol-1-amine(3994-46-5)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 3994-46-5(Hazardous Substances Data)

3994-46-5 Usage

Uses

Used in Pharmaceutical Industry:
1H-Pyrazol-1-amine is used as a chemical intermediate for the synthesis of cinnoline derivatives and other pharmaceuticals, contributing to the development of new drugs due to its unique chemical structure and reactivity.
Used in Chemical Synthesis:
1H-Pyrazol-1-amine is utilized as a precursor in the production of a variety of chemicals, leveraging its amine properties to facilitate reactions and form desired compounds in different industries.

Check Digit Verification of cas no

The CAS Registry Mumber 3994-46-5 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 3,9,9 and 4 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 3994-46:
(6*3)+(5*9)+(4*9)+(3*4)+(2*4)+(1*6)=125
125 % 10 = 5
So 3994-46-5 is a valid CAS Registry Number.
InChI:InChI=1/C3H5N3/c4-6-3-1-2-5-6/h1-3H,4H2

3994-46-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 1H-Pyrazol-1-amine

1.2 Other means of identification

Product number -
Other names pyrazol-1-amine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:3994-46-5 SDS

3994-46-5Relevant articles and documents

CYCLIC ETHER PYRAZOL-4-YL-HETEROCYCLYL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE

-

Page/Page column, (2014/04/03)

Cyclic ether pyrazol-4-yl-heterocyclyl-carboxamide compounds of Formula I, including stereoisomers, geometric isomers, tautomers, and pharmaceutically acceptable salts thereof, wherein R2 is a cyclic ether and X is thiazolyl, pyrazinyl, pyridinyl, or pyrimidinyl, are useful for inhibiting Pim kinase, and for treating disorders such as cancer mediated by Pim kinase. Methods of using compounds of Formula I for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

Scope of the inverse electron demand Diels-Alder reactions of 1,2,3-triazine

Anderson, Erin D.,Boger, Dale L.

supporting information; experimental part, p. 2492 - 2494 (2011/07/09)

Chemical equations presented. An examination of the scope of the inverse electron demand Diels-Alder reactions of the parent unsubstituted 1,2,3-triazine is described including the first report of its unique capabilities for participating in previously unexplored [4 + 2] cycloaddition reactions with heterodienophiles.

Inverse electron demand diels-alder reactions of 1,2,3-triazines: Pronounced substituent effects on reactivity and cycloaddition scope

Anderson, Erin D.,Boger, Dale L.

supporting information; experimental part, p. 12285 - 12292 (2011/09/16)

A systematic study of the inverse electron demand Diels-Alder reactions of 1,2,3-triazines is disclosed, including an examination of the impact of a C5 substituent. Such substituents were found to exhibit a remarkable impact on the cycloaddition reactivity of the 1,2,3-triazine without altering, and perhaps even enhancing, the intrinsic cycloaddition regioselectivity. The study revealed not only that the reactivity may be predictably modulated by a C5 substituent (R = CO2Me > Ph > H) but also that the impact is of a magnitude to convert 1,2,3-triazine (1) and its modest cycloaddition scope into a heterocyclic azadiene system with a reaction scope that portends extensive synthetic utility, expanding the range of participating dienophiles. Significantly, the studies define a now powerful additional heterocyclic azadiene, complementary to the isomeric 1,2,4-triazines and 1,3,5-triazines, capable of dependable participation in inverse electron demand Diels-Alder reactions, extending the number of complementary heterocyclic ring systems accessible with implementation of the methodology.

Bile-acid derived compounds for enhancing oral absorption and systemic bioavailability of drugs

-

, (2008/06/13)

Disclosed are compounds that exhibit high transport across the intestinal wall of an animal. The compounds may optionally be linked to drugs that are poorly absorbed or poorly transported across the intestinal wall after oral administration to provide for enhanced therapeutic, and optionally prolonged therapeutic, systemic blood concentrations of the drugs upon oral administration of the drug-compound conjugate. Also disclosed are pharmaceutical compositions containing and methods of using such compounds.

Inflammation modulators

-

, (2008/06/13)

Compounds, compositions and methods that are useful in the treatment of inflammatory, immunoregulatory, metabolic and cell proliferative conditions or diseases are provided herein. In particular, the invention provides compounds which modulate the expression and/or function of proteins involved in inflammation, metabolism and cell proliferation. The subject compounds contain quinoline or quinazoline rings.

Nitrogen substituted imidazo[4,5-C]pyrazoles as corticotropin releasing hormone antagonists

-

, (2008/06/13)

Corticotropin releasing factor (CRF) antagonists of Formulae (I) or (II): and their use in treating psychiatric disorders and neurological diseases including major depression, anxiety-related disorders, post-traumatic stress disorder, supranuclear palsy and feeding disorders as well as treatment of immunological, cardiovascular or heart-related diseases and colonic hypersensitivity associated with psychopathological disturbance and stress.

Method of treating a patient having precancerous lesions with phenyl purinone derivatives

-

, (2008/06/13)

Derivatives of Phenyl Purinone are useful for the treatment of patients having precancerous lesions. These compounds are also useful to inhibit growth of neoplastic cells.

Synthesis and structure-activity relationships of N-propyl-N-(4- pyridinyl)-1H-indol-1-amine (besipirdine) and related analogs as potential therapeutic agents for Alzheimer's disease

Klein,Davis,Olsen,Wong,Huger,Smith,Petko,Cornfeldt,Wilker,Blitzer,Landau,Haroutunian,Martin,Effland

, p. 570 - 581 (2007/10/03)

A series of novel N-(4-pyridinyl)-1H-indol-1-amines and other heteroaryl analogs was synthesized and evaluated in tests to determine potential utility for the treatment of Alzheimer's disease. From these compounds, N-propyl-N- (4-pyridinyl)-1H-indol-1-amine (besipirdine, 4c) was selected for clinical development based on in-depth biological evaluation. In addition to cholinomimetic properties based initially on in vitro inhibition of [3H]quinuclidinyl benzilate binding, in vivo reversal of scopolamine- induced behavioral deficits, and subsequently on other results, 4c also displayed enhancement of adrenergic mechanisms as evidenced in vitro by inhibition of [3H]clonidine binding and synaptosomal biogenic amine uptake, and in vivo by reversal of tetrabenazine-induced ptosis. The synthesis, structure-activity relationships for this series, and the biological profile of 4c are reported.

N- and O-substituted aminophenols, method and use for diagnosis

-

, (2008/06/13)

The present invention provides N- and O-substituted aminophenol derivatives of the general formula STR1 wherein R1, R2, R3, G and L are as hereinbefore defined. The present invention also provides intermediates for the preparation of these aminophenol derivatives of general formula (I), as well as the use of the aminophenol derivatives of general formula (I) for the determination of hydrolyses, as well as for the preparation of agents for carrying out determinations of hydrolyses.

PYRAZOLOPYRIMIDINONE ANTIANGINAL AGENTS

-

, (2008/06/13)

Compounds of the formula:wherein R1 is H, C1-C3 alkyl, C3-C5 cycloalkyl or C1-C3 perfluoroalkyl; R2 is H, C1-C6 alkyl optionally substituted by OH, C1-C3 alkoxy or C3-C6 cycloalkyl, or C1-C3 perfluoroalkyl; R3 is C1-C6 alkyl, C3-C6 alkenyl, C3-C6 alkynyl, C3-C7 cycloalkyl, C1-C6 perfluoroalkyl or (C3 -C6 cycloalkyl)C1-C6 alkyl; R4 taken together with the nitrogen atom to which it is attached completes a pyrrolidinyl, piperidino, morpholino, or 4-N-(R6)-piperazinyl group; R5 is H, C1-C4 alkyl, C1-C3 alkoxy, NR7 R8, or CONR7 R8 ; R6 is H, C1-C6 alkyl, (C1-C3 alkoxy) C2-C6 alkyl, hydroxy C2-C6 alkyl, (R7 R8 N)C2 -C6 alkyl, (R7 R8 NCO)C1-C6 alkyl, CONR7 R8, CSNR7 R8 or C(NH)NR7 R8 ; R7 and R8 are each independently H, C1-C4 alkyl, (C1-C3 alkoxy)C2-C4 alkyl or hydroxy C2-C4 alkyl; and pharmaceutically acceptable salts thereof, are selective cGMP PDE inhibitors useful in the treatment of cardiovascular disorders such as angina, hypertension, heart failure and atherosclerosis

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