CAS 956950-77-9

3,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylic acid

Description:

3,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylic acid is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features two methyl groups at the 3 and 5 positions of the pyrazole ring, enhancing its lipophilicity and potentially influencing its biological activity. The presence of a trifluoromethyl group at the 3-position of the phenyl substituent significantly affects the compound's electronic properties, often increasing its potency in biological applications. The carboxylic acid functional group at the 4-position contributes to its acidity and can participate in hydrogen bonding, which may enhance solubility in polar solvents. This compound is of interest in medicinal chemistry and may exhibit various pharmacological activities, making it a candidate for further research in drug development. Its unique structural features and functional groups suggest potential applications in agrochemicals or pharmaceuticals, particularly in the development of compounds with specific biological targets.

Formula: C₁₃H₁₁F₃N₂O₂

InChI: InChI=1S/C13H11F3N2O2/c1-7-11(12(19)20)8(2)18(17-7)10-5-3-4-9(6-10)13(14,15)16/h3-6H,1-2H3,(H,19,20)

InChI key: InChIKey=NWKJZQBDWFPRPR-UHFFFAOYSA-N

SMILES: CC=1N(N=C(C)C1C(O)=O)C2=CC(C(F)(F)F)=CC=C2

Synonyms:

• 1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-
• 3,5-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylic acid