CAS 1001518-88-2

4-[[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid

Description:

4-[[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid, with the CAS number 1001518-88-2, is a chemical compound characterized by its complex structure, which includes a benzoic acid moiety and a pyrazole ring substituted with difluoromethyl groups. This compound typically exhibits properties such as moderate solubility in organic solvents and potential reactivity due to the presence of both acidic and basic functional groups. The difluoromethyl substituents contribute to its lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. The presence of the pyrazole ring suggests potential applications in medicinal chemistry, particularly in the development of agrochemicals or pharmaceuticals. Additionally, the compound may exhibit specific spectral characteristics in techniques such as NMR and IR spectroscopy, which can be utilized for its identification and characterization. Overall, this compound represents a unique structure that may possess interesting chemical and biological properties, warranting further investigation in various fields of research.

Formula: C₁₃H₁₀F₄N₂O₂

InChI: InChI=1S/C13H10F4N2O2/c14-11(15)9-5-10(12(16)17)19(18-9)6-7-1-3-8(4-2-7)13(20)21/h1-5,11-12H,6H2,(H,20,21)

InChI key: InChIKey=DGHPTFYMFHGEAJ-UHFFFAOYSA-N

SMILES: C(N1C(C(F)F)=CC(C(F)F)=N1)C2=CC=C(C(O)=O)C=C2

Synonyms:

• 4-[[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]benzoic acid
• Benzoic acid, 4-[[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]methyl]-

4-{[3,5-Bis(difluoromethyl)-1H-pyrazol-1-yl]methyl}benzoic acid

CAS: 1001518-88-2

Versatile small molecule scaffold

Formula: C₁₃H₁₀F₄N₂O₂

Purity: Min. 95%

Molecular weight: 302.22 g/mol

Ref: 3D-BQB51888