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3-Iodo-1H-pyrazole-4-carbonitrile is a chemical compound characterized by the formula C5H2IN3. It features a pyrazole ring, a carbonitrile group, and an iodo substituent, which together confer unique structural and functional properties. 3-Iodo-1H-pyrazole-4-carbonitrile is recognized for its potential in organic synthesis and pharmaceutical research, making it a significant contributor to the development of new drugs and agrochemicals.

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  • 827316-44-9 Structure
  • Basic information

    1. Product Name: 3-Iodo-1H-pyrazole-4-carbonitrile
    2. Synonyms: 3-Iodo-1H-pyrazole-4-carbonitrile
    3. CAS NO:827316-44-9
    4. Molecular Formula: C4H2IN3
    5. Molecular Weight: 218.98325
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 827316-44-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 428.8±30.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: 2.37±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
    8. Solubility: N/A
    9. PKA: 7.50±0.50(Predicted)
    10. CAS DataBase Reference: 3-Iodo-1H-pyrazole-4-carbonitrile(CAS DataBase Reference)
    11. NIST Chemistry Reference: 3-Iodo-1H-pyrazole-4-carbonitrile(827316-44-9)
    12. EPA Substance Registry System: 3-Iodo-1H-pyrazole-4-carbonitrile(827316-44-9)
  • 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: 827316-44-9(Hazardous Substances Data)

827316-44-9 Usage

Uses

Used in Organic Synthesis:
3-Iodo-1H-pyrazole-4-carbonitrile is utilized as a building block in organic synthesis for the creation of various biologically active compounds. Its unique structure allows for the development of a wide range of chemical entities with potential applications in different fields.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 3-Iodo-1H-pyrazole-4-carbonitrile serves as a key intermediate in the synthesis of new drugs. Its presence in the molecular structure can influence the pharmacological properties of the resulting compounds, contributing to the discovery of novel therapeutic agents.
Used in Agrochemical Development:
3-Iodo-1H-pyrazole-4-carbonitrile is also employed in the agrochemical sector, where it is used as a precursor for the synthesis of new pesticides and other crop protection agents. Its structural features can be leveraged to enhance the effectiveness and selectivity of these products.
Used in High-Throughput Screening and Drug Discovery Programs:
Due to its versatility, 3-Iodo-1H-pyrazole-4-carbonitrile is a valuable component in creating diverse chemical libraries for high-throughput screening. This allows researchers to rapidly identify promising candidates for further development and optimization in drug discovery programs.
Overall, 3-Iodo-1H-pyrazole-4-carbonitrile is a multifaceted chemical with applications spanning across various scientific disciplines, playing a crucial role in the advancement of organic synthesis, pharmaceuticals, agrochemicals, and drug discovery.

Check Digit Verification of cas no

The CAS Registry Mumber 827316-44-9 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 8,2,7,3,1 and 6 respectively; the second part has 2 digits, 4 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 827316-44:
(8*8)+(7*2)+(6*7)+(5*3)+(4*1)+(3*6)+(2*4)+(1*4)=169
169 % 10 = 9
So 827316-44-9 is a valid CAS Registry Number.

827316-44-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Iodo-1H-pyrazole-4-carbonitrile

1.2 Other means of identification

Product number -
Other names 5-iodo-1H-pyrazole-4-carbonitrile

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:827316-44-9 SDS

827316-44-9Upstream product

827316-44-9Downstream Products

827316-44-9Relevant articles and documents

PYRAZOLE CARBOXAMIDE COMPOUNDS FOR USE IN THE TREAMENT OF DISORDERS MEDIATED BY BRUTON'S TYROSINE KINASE (BTK)

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Page/Page column 68; 69, (2016/04/26)

Pyrazole carboxamide compounds of Formula (I) are provided (X and R1-R6 are as defined in the claims), with various substituents, and including stereoisomers, tautomers, and pharmaceutically acceptable salts thereof, useful for inhib

HETEROCYCLIC MODULATORS OF LIPID SYNTHESIS AND COMBINATIONS THEREOF

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Page/Page column 298; 299, (2015/07/07)

Heterocyclic modulators of lipid synthesis are provided as well as pharmaceutically acceptable salts thereof; pharmaceutical compositions comprising such compounds; and methods of treating conditions characterized by disregulation of a fatty acid synthase pathway by the administration of such compounds and combinations of such compounds and other therapeutic agents.

Potent and selective inhibitors of CDPK1 from T. Gondii and C. Parvum based on a 5-aminopyrazole-4-carboxamide scaffold

Zhang, Zhongsheng,Ojo, Kayode K.,Vidadala, Ramasubbarao,Huang, Wenlin,Geiger, Jennifer A.,Scheele, Suzanne,Choi, Ryan,Reid, Molly C.,Keyloun, Katelyn R.,Rivas, Kasey,Kallur Siddaramaiah, Latha,Comess, Kenneth M.,Robinson, Kenneth P.,Merta, Philip J.,Kifle, Lemma,Hol, Wim G. J.,Parsons, Marilyn,Merritt, Ethan A.,Maly, Dustin J.,Verlinde, Christophe L. M. J.,Van Voorhis, Wesley C.,Fan, Erkang

, p. 40 - 44 (2014/02/14)

5-Aminopyrazole-4-carboxamide was used as an alternative scaffold to substitute for the pyrazolopyrimidine of a known bumped kinase inhibitor to create selective inhibitors of calcium-dependent protein kinase-1 from both Toxoplasma gondii and Cryptosporidium parvum. Compounds with low nanomolar inhibitory potencies against the target enzymes were obtained. The most selective inhibitors also exhibited submicromolar activities in T. gondii cell proliferation assays and were shown to be nontoxic to mammalian cells.

5-AMINOPYRAZOLE-4-CARBOXAMIDE INHIBITORS OF CDPK1 FROM T. GONDII AND C. PARVUM

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Page/Page column 39, (2014/12/12)

The present disclosure is generally directed to compositions and methods for treating apicomplexan protozoan related disease, such as toxoplasmosis and cryptosporidiosis.

INHIBITORS OF BRUTON'S TYROSINE KINASE

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Page/Page column 54, (2012/12/13)

This application discloses compounds according to generic Formula I: wherein all variables are defined as described herein, which inhibit Btk. The compounds disclosed herein are useful to modulate the activity of Btk and treat diseases associated with excessive Btk activity. The compounds are further useful to treat inflammatory and auto immune diseases associated with aberrant B-cell proliferation such as rheumatoid arthritis. Also disclosed are compositions containing compounds of Formula I and at least one carrier, diluent or excipient.

PYRAZOLYL-INDOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM

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Page 28, (2010/02/10)

Pyrazolyl-indole derivatives of formula (I) as defined in the specification, and pharmaceutically acceptable salts thereof, process for their preparation and pharmaceutical compositions comprising them are disclosed; the compounds of the invention may be

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