CAS 898289-62-8

Methyl 2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoate

Description:

Methyl 2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoate, with the CAS number 898289-62-8, is an organic compound characterized by its complex structure, which includes a benzoate moiety and a pyrazole ring. This compound features a methyl group and a trifluoromethyl group, contributing to its unique chemical properties. The presence of the trifluoromethyl group often enhances the lipophilicity and metabolic stability of the molecule, making it of interest in pharmaceutical applications. The pyrazole ring is known for its biological activity, and derivatives of pyrazole are frequently explored for their potential as agrochemicals and pharmaceuticals. Methyl 2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoate may exhibit specific reactivity patterns due to the electron-withdrawing nature of the trifluoromethyl group, influencing its interactions in chemical reactions. Overall, this compound represents a class of molecules that are valuable in medicinal chemistry and material science due to their diverse functional properties.

Formula: C₁₃H₁₁F₃N₂O₂

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

InChI key: InChIKey=VBXXEOGWKRJBBH-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-, methyl ester
• Methyl 2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoate

Benzoic acid,2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-, methyl ester

CAS: 898289-62-8

Formula: C₁₃H₁₁F₃N₂O₂

Molecular weight: 284.2338

Ref: IN-DA003XM6

Methyl 2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoate

CAS: 898289-62-8

Methyl 2-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoate

Purity: ≥95%

Color and Shape: Pale Yellow Low-Melting Solid

Molecular weight: 284.23g/mol

Ref: 54-PC3415