CAS 187998-36-3

1-(4-Chlorophenyl)-5-(1-methylethyl)-1H-pyrazole-4-carboxylic acid

Description:

1-(4-Chlorophenyl)-5-(1-methylethyl)-1H-pyrazole-4-carboxylic acid, identified by its CAS number 187998-36-3, is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a 4-chlorophenyl group and an isopropyl substituent at specific positions on the pyrazole ring, contributing to its unique chemical properties. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents, depending on the specific conditions. The presence of the carboxylic acid functional group suggests that it can participate in acid-base reactions and may form salts or esters. This compound is of interest in various fields, including medicinal chemistry and agrochemicals, due to its potential biological activities. Its structural characteristics may influence its reactivity, stability, and interactions with biological targets, making it a subject of study for developing new pharmaceuticals or agrochemical agents.

Formula: C₁₃H₁₃ClN₂O₂

InChI: InChI=1S/C13H13ClN2O2/c1-8(2)12-11(13(17)18)7-15-16(12)10-5-3-9(14)4-6-10/h3-8H,1-2H3,(H,17,18)

InChI key: InChIKey=WZXHVMZFVCBILW-UHFFFAOYSA-N

SMILES: C(C)(C)C=1N(N=CC1C(O)=O)C2=CC=C(Cl)C=C2

Synonyms:

• 1H-Pyrazole-4-carboxylic acid, 1-(4-chlorophenyl)-5-(1-methylethyl)-
• 1-(4-Chlorophenyl)-5-(1-methylethyl)-1H-pyrazole-4-carboxylic acid
• 1-(4-Chlorophenyl)-5-(propan-2-yl)-1H-pyrazole-4-carboxylic acid

1-(4-Chlorophenyl)-5-(propan-2-yl)-1H-pyrazole-4-carboxylic acid

CAS: 187998-36-3

Versatile small molecule scaffold

Formula: C₁₃H₁₃ClN₂O₂

Purity: Min. 95%

Molecular weight: 264.71 g/mol

Ref: 3D-MHA99836