CAS 1344045-94-8

Ethyl 3-methyl-1-(phenylmethyl)-1H-pyrazole-4-carboxylate

Description:

Ethyl 3-methyl-1-(phenylmethyl)-1H-pyrazole-4-carboxylate is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features an ethyl ester functional group, contributing to its solubility and reactivity. The presence of a phenylmethyl group enhances its potential for interactions in biological systems, making it of interest in medicinal chemistry. The methyl group at the 3-position of the pyrazole ring adds to the compound's steric and electronic properties, potentially influencing its biological activity. Ethyl 3-methyl-1-(phenylmethyl)-1H-pyrazole-4-carboxylate may exhibit various chemical behaviors, including esterification and nucleophilic substitution, due to the presence of the carboxylate moiety. Its unique structure suggests potential applications in pharmaceuticals, particularly in the development of new therapeutic agents. As with many organic compounds, its stability, reactivity, and interactions with other substances can be influenced by environmental factors such as temperature and pH.

Formula: C₁₄H₁₆N₂O₂

InChI: InChI=1S/C14H16N2O2/c1-3-18-14(17)13-10-16(15-11(13)2)9-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3

InChI key: InChIKey=DTRYAIAKHPJJTM-UHFFFAOYSA-N

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

Synonyms:

• 1H-Pyrazole-4-carboxylic acid, 3-methyl-1-(phenylmethyl)-, ethyl ester
• Ethyl 3-methyl-1-(phenylmethyl)-1H-pyrazole-4-carboxylate