CAS 1429418-54-1

Methyl 4-bromo-1-(2-fluoroethyl)-1H-pyrazole-3-carboxylate

Description:

Methyl 4-bromo-1-(2-fluoroethyl)-1H-pyrazole-3-carboxylate is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two adjacent nitrogen atoms. The presence of a bromine atom at the 4-position and a fluoroethyl group at the 1-position contributes to its unique reactivity and potential applications in medicinal chemistry. The carboxylate functional group, derived from the esterification of the carboxylic acid, enhances its solubility in organic solvents and may influence its biological activity. This compound is likely to exhibit polar characteristics due to the electronegative halogen substituents, which can affect its interaction with biological targets. Additionally, the presence of the methyl ester group suggests potential for hydrolysis reactions, which can be relevant in metabolic pathways. Overall, the structural features of Methyl 4-bromo-1-(2-fluoroethyl)-1H-pyrazole-3-carboxylate indicate its potential utility in pharmaceutical research, particularly in the development of new therapeutic agents.

Formula: C₇H₈BrFN₂O₂

InChI: InChI=1S/C7H8BrFN2O2/c1-13-7(12)6-5(8)4-11(10-6)3-2-9/h4H,2-3H2,1H3

InChI key: InChIKey=CYCHEPJYNNLXDE-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C(Br)=CN(CCF)N1

Synonyms:

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