CAS 618383-45-2

3-[4-(Trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylic acid

Description:

3-[4-(Trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylic acid is an organic compound characterized by its pyrazole core, which is a five-membered ring containing two adjacent nitrogen atoms. The presence of a trifluoromethyl group (-CF3) on the phenyl ring significantly enhances the compound's lipophilicity and may influence its biological activity. The carboxylic acid functional group (-COOH) contributes to its acidity and solubility in polar solvents, making it useful in various chemical reactions and applications. This compound is often studied for its potential pharmacological properties, including anti-inflammatory and analgesic effects, due to the structural motifs that can interact with biological targets. Additionally, the trifluoromethyl group can enhance metabolic stability and bioavailability. Overall, the unique combination of functional groups in this compound makes it a subject of interest in medicinal chemistry and material science.

Formula: C₁₁H₇F₃N₂O₂

InChI: InChI=1S/C11H7F3N2O2/c12-11(13,14)7-3-1-6(2-4-7)9-8(10(17)18)5-15-16-9/h1-5H,(H,15,16)(H,17,18)

InChI key: InChIKey=BOWZHWWJQMJYIP-UHFFFAOYSA-N

SMILES: C(O)(=O)C=1C(=NNC1)C2=CC=C(C(F)(F)F)C=C2

Synonyms:

• 1H-Pyrazole-4-carboxylic acid, 3-[4-(trifluoromethyl)phenyl]-
• 3-(4-Trifluoromethyl-phenyl)-1H-pyrazole-4-carboxylic acid

5-[4-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylic acid

CAS: 618383-45-2

Formula: C₁₁H₇F₃N₂O₂

Purity: 95.0%

Molecular weight: 256.184

Ref: 10-F525969