CAS 1245772-36-4

Methyl 4-chloro-1-(2,2-difluoroethyl)-1H-pyrazole-3-carboxylate

Description:

Methyl 4-chloro-1-(2,2-difluoroethyl)-1H-pyrazole-3-carboxylate is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a methyl ester functional group, contributing to its reactivity and solubility properties. The presence of a chloro substituent at the 4-position and a difluoroethyl group at the 1-position enhances its biological activity and potential applications in medicinal chemistry. The difluoroethyl group introduces significant electronegativity, which can influence the compound's interaction with biological targets. Methyl 4-chloro-1-(2,2-difluoroethyl)-1H-pyrazole-3-carboxylate is likely to exhibit properties typical of pyrazole derivatives, such as potential anti-inflammatory or anti-cancer activities, making it of interest in pharmaceutical research. Its molecular structure suggests it may participate in various chemical reactions, including nucleophilic substitutions and esterifications, which are common for compounds containing ester functionalities. Overall, this compound represents a unique combination of structural features that may lead to diverse applications in chemical and biological fields.

Formula: C₇H₇ClF₂N₂O₂

InChI: InChI=1S/C7H7ClF2N2O2/c1-14-7(13)6-4(8)2-12(11-6)3-5(9)10/h2,5H,3H2,1H3

InChI key: InChIKey=QTEOUTAJIPLPFC-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C(Cl)=CN(CC(F)F)N1

Synonyms:

• Methyl 4-chloro-1-(2,2-difluoroethyl)-1H-pyrazole-3-carboxylate
• 1H-Pyrazole-3-carboxylic acid, 4-chloro-1-(2,2-difluoroethyl)-, methyl ester