CAS 209917-93-1

1-(3-Cyanophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid

Description:

1-(3-Cyanophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a cyanophenyl group at one position and a trifluoromethyl group at another, contributing to its unique chemical properties. The presence of the carboxylic acid functional group enhances its acidity and solubility in polar solvents. The trifluoromethyl group is known for its electron-withdrawing properties, which can influence the compound's reactivity and stability. Additionally, the cyanophenyl moiety may impart specific electronic and steric effects, making this compound of interest in various fields, including medicinal chemistry and materials science. Its structural features suggest potential applications in drug development or as a building block in organic synthesis. As with many pyrazole derivatives, it may exhibit biological activity, warranting further investigation into its pharmacological properties.

Formula: C₁₂H₆F₃N₃O₂

InChI: InChI=1S/C12H6F3N3O2/c13-12(14,15)10-5-9(11(19)20)18(17-10)8-3-1-2-7(4-8)6-16/h1-5H,(H,19,20)

InChI key: InChIKey=FQVUSLUPETYVCP-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1N(N=C(C(F)(F)F)C1)C2=CC(C#N)=CC=C2

Synonyms:

• 1-(3-Cyanophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid
• 1H-Pyrazole-5-carboxylic acid, 1-(3-cyanophenyl)-3-(trifluoromethyl)-
• 2-(3-Cyanophenyl)-5-trifluoromethyl-2H-pyrazole-3-carboxylic acid
• 1-(3-Cyanophenyl)-3-trifluoromethylpyrazole-5-carboxylic acid

Berotralstat Impurity 1

CAS: 209917-93-1

Formula: C₁₂H₆F₃N₃O₂

Molecular weight: 281.19

Ref: 4Z-B-209002