CAS 1001510-04-8

3-[[4-Chloro-3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid

Description:

3-[[4-Chloro-3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety and a pyrazole ring substituted with a chlorine atom and difluoromethyl groups. This compound typically exhibits properties such as moderate solubility in organic solvents and potential reactivity due to the presence of functional groups that can participate in various chemical reactions. The chlorine and difluoromethyl substituents can influence its biological activity, making it of interest in pharmaceutical research. The presence of the carboxylic acid group suggests that it can engage in hydrogen bonding and may act as an acid in chemical reactions. Additionally, the compound's molecular structure may confer specific steric and electronic properties, which can affect its interactions with biological targets. Overall, this compound is notable for its potential applications in medicinal chemistry and its role in the development of new therapeutic agents.

Formula: C₁₃H₉ClF₄N₂O₂

InChI: InChI=1S/C13H9ClF4N2O2/c14-8-9(11(15)16)19-20(10(8)12(17)18)5-6-2-1-3-7(4-6)13(21)22/h1-4,11-12H,5H2,(H,21,22)

InChI key: InChIKey=MANOHLGPDCCJJV-UHFFFAOYSA-N

SMILES: C(N1C(C(F)F)=C(Cl)C(C(F)F)=N1)C2=CC(C(O)=O)=CC=C2

Synonyms:

• 3-[[4-Chloro-3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid
• Benzoic acid, 3-[[4-chloro-3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]-

3-{[4-Chloro-3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid

CAS: 1001510-04-8

Versatile small molecule scaffold

Formula: C₁₃H₉ClF₄N₂O₂

Purity: Min. 95%

Molecular weight: 336.67 g/mol

Ref: 3D-BQB51004