CAS 98534-85-1

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

Description:

5-(Trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylic acid is a chemical compound characterized by its complex structure, which includes a pyrazole ring substituted with trifluoromethyl groups and a carboxylic acid functional group. The presence of multiple trifluoromethyl groups contributes to its unique properties, such as increased lipophilicity and potential biological activity. This compound is likely to exhibit significant thermal stability and may participate in various chemical reactions due to the reactivity of the carboxylic acid group. Its molecular structure suggests potential applications in pharmaceuticals, agrochemicals, or materials science, particularly in the development of compounds with specific biological activities or as intermediates in synthetic pathways. The trifluoromethyl groups can enhance the compound's potency and selectivity in biological systems. Overall, this compound represents a class of fluorinated organic compounds that are of interest in both research and industrial applications due to their distinctive chemical properties.

Formula: C₁₂H₆F₆N₂O₂

InChI: InChI=1S/C12H6F6N2O2/c13-11(14,15)6-2-1-3-7(4-6)20-9(12(16,17)18)8(5-19-20)10(21)22/h1-5H,(H,21,22)

InChI key: InChIKey=DEZNAYPQPAPVCM-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1N(N=CC1C(O)=O)C2=CC(C(F)(F)F)=CC=C2

Synonyms:

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