130599-34-7

Basic information

• Product Name: 5-(4-TRIFLUOROMETHYL-PHENYL)-2H-PYRAZOL-3-YLAMINE
• Synonyms: 5-(4-TRIFLUOROMETHYL-PHENYL)-2H-PYRAZOL-3-YLAMINE;1H-Pyrazol-3-amine, 5-[4-(trifluoromethyl)phenyl]-;5-(4-(TrifluoroMethyl)phenyl)-1H-pyrazol-3-aMine
• CAS NO: 130599-34-7
• Molecular Formula: C₁₀H₈F₃N₃
• Molecular Weight: 227.19
• Mol File: 130599-34-7.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 405.0±45.0 °C(Predicted)
• Appearance: /
• Density: 1.401±0.06 g/cm3(Predicted)
• Storage Temp.: 2-8°C(protect from light)
• PKA: 13.76±0.10(Predicted)
• CAS DataBase Reference: 5-(4-TRIFLUOROMETHYL-PHENYL)-2H-PYRAZOL-3-YLAMINE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(4-TRIFLUOROMETHYL-PHENYL)-2H-PYRAZOL-3-YLAMINE(130599-34-7)
• EPA Substance Registry System: 5-(4-TRIFLUOROMETHYL-PHENYL)-2H-PYRAZOL-3-YLAMINE(130599-34-7)

Safety Data

• Hazard Codes: T
• Statements: 25
• Safety Statements: 45
• RIDADR: UN 2811 6.1 / PGIII
• Hazardous Substances Data: 130599-34-7(Hazardous Substances Data)

Usage

General Description

5-(4-Trifluoromethyl-phenyl)-2H-pyrazol-3-ylamine is a chemical compound that belongs to the group of phenylpyrazoles. It is known for its trifluoromethyl group, a chemical group that contains three fluorine atoms bonded with a carbon atom, which enhances the chemical’s stability and reactivity. The pyrazol part of the name refers to a class of organic compounds containing a five-membered aromatic ring with two nitrogen atoms and three carbon atoms. 5-(4-TRIFLUOROMETHYL-PHENYL)-2H-PYRAZOL-3-YLAMINE is typically used in the synthesis and development of more complex organic compounds in the field of medicinal chemistry due to its properties. However, information about this specific chemical compound's applications, safety and toxicity is quite limited. Hence, it is critical to handle such chemicals under expert supervision and required safety guidelines.

InChI:InChI=1S/C10H8F3N3/c11-10(12,13)7-3-1-6(2-4-7)8-5-9(14)16-15-8/h1-5H,(H3,14,15,16)

Upstream product

• 2967-66-0 methyl 4-(trifluoromethyl)benzoate 
• 71682-94-5 ω-cyano-4-trifluoromethylacetophenone 

Downstream Products

• 1040724-17-1 3-amino-5-(4-trifluoromethyl-phenyl)-pyrazole-1-carboxylic acid tert-butyl ester 
• 1452831-77-4 methyl 5-cyano-6,7-dihydro-6-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylate 
• 1448466-61-2 1,3-dihydro-7-(4-trifluoromethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2-thioxo-4-one 
• 1448466-46-3 1,3-dihydro-7-(4-trifluoromethylphenyl)pyrazolo[1,5-a][1,3,5]triazin-2,4-dione 
• 1141402-00-7 N-(3-(4-(trifluoromethyl)phenyl)-1H-pyrazol-5-yl)-2-mercaptoacetamide 
• 1040719-01-4 5-piperidin-1-yl-pentanoic acid [3-(4-trifluoromethylphenyl)-1H-pyrazol-5-yl]amide 
• 1374979-28-8 C₁₅H₁₅BrF₃N₃O 
• 1221129-35-6 5-hydroxy-6-phenyl-2-(4-(trifluoromethyl)phenyl)pyrazolo[1,5-a]pyrimidin-7(6H)-one 

Relevant articles and documents

Polysubstituted heterocyclic derivative, preparation method thereof and application of polysubstituted heterocyclic derivative in medicine

The invention provides a polysubstituted heterocyclic derivative, a preparation method thereof and application of the polysubstituted heterocyclic derivative in medicine, and belongs to the technical field of medicinal chemistry. The polysubstituted heterocyclic derivative is a compound shown in a general formula I or II, a pharmaceutically acceptable salt or a solvate of the compound, and the compound can inhibit mRNA demethylase on the protease level and is used for treating diseases related to mRNA demethylase functions.

Discovery of a novel alpha-7 nicotinic acetylcholine receptor agonist series and characterization of the potent, selective, and orally efficacious agonist 5-(4-acetyl[1,4]diazepan-1-yl)pentanoic acid [5-(4-methoxyphenyl)-1H- pyrazol-3-yl] amide (SEN15924, WAY-361789)

Alpha-7 nicotinic acetylcholine receptors (α7 nAChR) are implicated in the modulation of many cognitive functions such as attention, working memory, and episodic memory. For this reason, α7 nAChR agonists represent promising therapeutic candidates for the treatment of cognitive impairment associated with Alzheimer's disease (AD) and schizophrenia. A medicinal chemistry effort, around our previously reported chemical series, permitted the discovery of a novel class of α7 nAChR agonists with improved selectivity, in particular against the α3 receptor subtype and better ADME profile. The exploration of this series led to the identification of 5-(4-acetyl[1,4] diazepan-1-yl)pentanoic acid [5-(4-methoxyphenyl)-1H-pyrazol-3-yl] amide (25, SEN15924, WAY-361789), a novel, full agonist of the α7 nAChR that was evaluated in vitro and in vivo. Compound 25 proved to be potent and selective, and it demonstrated a fair pharmacokinetic profile accompanied by efficacy in rodent behavioral cognition models (novel object recognition and auditory sensory gating).

Botulinum neurotoxin serotype A inhibitors: Small-molecule mercaptoacetamide analogs

Botulinum neurotoxin elicits its paralytic activity through a zinc-dependant metalloprotease that cleaves proteins involved in neurotransmitter release. Currently, no drugs are available to reverse the effects of botulinum intoxication. Herein we report the design of a novel series of mercaptoacetamide small-molecule inhibitors active against botulinum neurotoxin serotype A. These analogs show low micromolar inhibitory activity against the isolated enzyme. Structure-activity relationship studies for a series of mercaptoacetamide analogs of 5-amino-3-phenylpyrazole reveal components essential for potent inhibitory activity.