CAS 1004643-62-2

3-[[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid

Description:

3-[[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety and a trifluoromethyl-substituted pyrazole. This compound typically exhibits properties such as being a solid at room temperature, with potential applications in pharmaceuticals and agrochemicals due to its unique functional groups. The presence of the trifluoromethyl group enhances lipophilicity and biological activity, making it a candidate for various medicinal chemistry applications. The benzoic acid component contributes to its acidity and potential for forming salts or esters. Additionally, the pyrazole ring can participate in various chemical reactions, including nucleophilic substitutions and coordination with metal ions. Overall, this compound's characteristics, including its molecular stability, reactivity, and potential biological activity, make it of interest in both research and industrial applications. Safety data and handling precautions should be considered due to the presence of fluorinated groups, which can pose environmental and health risks.

Formula: C₁₂H₉F₃N₂O₂

InChI: InChI=1S/C12H9F3N2O2/c13-12(14,15)10-4-5-17(16-10)7-8-2-1-3-9(6-8)11(18)19/h1-6H,7H2,(H,18,19)

InChI key: InChIKey=IYMPJPDKJCWPQM-UHFFFAOYSA-N

SMILES: C(N1N=C(C(F)(F)F)C=C1)C2=CC(C(O)=O)=CC=C2

Synonyms:

• 3-[[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid
• Benzoic acid, 3-[[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl]-

3-{[3-(Trifluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid

CAS: 1004643-62-2

Versatile small molecule scaffold

Formula: C₁₂H₉F₃N₂O₂

Purity: Min. 95%

Molecular weight: 270.21 g/mol

Ref: 3D-EQB64362