CAS 93618-46-3

ethyl 3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate

Description:

Ethyl 3-[3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxylate, identified by its CAS number 93618-46-3, is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a trifluoromethyl group, which significantly enhances its lipophilicity and biological activity. The ethyl ester functional group contributes to its solubility in organic solvents and may influence its reactivity and interaction with biological targets. The presence of the phenyl group attached to the pyrazole ring can also affect the compound's electronic properties and steric hindrance. Typically, compounds of this nature are studied for their potential applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. The trifluoromethyl group is particularly notable for imparting unique properties, such as increased metabolic stability and altered pharmacokinetics. Overall, this compound exemplifies the complexity and versatility of modern organic chemistry, with implications for various fields, including medicinal chemistry and materials science.

Formula: C₁₃H₁₁F₃N₂O₂

InChI: InChI=1/C13H11F3N2O2/c1-2-20-12(19)11-7-10(17-18-11)8-4-3-5-9(6-8)13(14,15)16/h3-7H,2H2,1H3,(H,17,18)

SMILES: CCOC(=O)c1cc(c2cccc(c2)C(F)(F)F)[nH]n1