CAS 910037-16-0

2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic acid

Description:

2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic acid, with the CAS number 910037-16-0, is a chemical compound characterized by its unique structure that includes a benzoic acid moiety and a pyrazole ring substituted with a methyl and trifluoromethyl group. This compound typically exhibits properties such as being a solid at room temperature, with potential applications in pharmaceuticals and agrochemicals due to its bioactive characteristics. The presence of the trifluoromethyl group often enhances lipophilicity and metabolic stability, making it an interesting candidate for drug development. Additionally, the carboxylic acid functional group contributes to its acidity and potential for forming salts or esters. The compound's molecular interactions may be influenced by hydrogen bonding and π-π stacking due to the aromatic systems present. Overall, this substance represents a class of compounds that may exhibit significant biological activity, warranting further investigation in medicinal chemistry and related fields.

Formula: C₁₂H₉F₃N₂O₂

InChI: InChI=1S/C12H9F3N2O2/c1-17-9(6-10(16-17)12(13,14)15)7-4-2-3-5-8(7)11(18)19/h2-6H,1H3,(H,18,19)

InChI key: InChIKey=ADEAPHCAMGDLFU-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=C(C=CC=C1)C2=CC(C(F)(F)F)=NN2C

Synonyms:

• 2-[1-Methyl-3-(Trifluoromethyl)-1H-Pyrazol-5-Yl]Benzoic Acid
• Benzoic acid, 2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-
• 2-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]benzoic acid