CAS 852956-37-7

Methyl 1-(3-chlorophenyl)-2,5-dihydro-5-oxo-1H-pyrazole-3-acetate

Description:

Methyl 1-(3-chlorophenyl)-2,5-dihydro-5-oxo-1H-pyrazole-3-acetate, with the CAS number 852956-37-7, is a chemical compound characterized by its pyrazole core structure, which is a five-membered ring containing two nitrogen atoms. This compound features a methyl ester functional group, contributing to its solubility and reactivity. The presence of a 3-chlorophenyl substituent indicates that it has a chlorine atom attached to a phenyl ring, which can influence its biological activity and lipophilicity. The dihydro-5-oxo structure suggests that it may exhibit keto-enol tautomerism, which can affect its stability and reactivity. This compound may be of interest in medicinal chemistry due to its potential pharmacological properties, possibly acting as an intermediate in the synthesis of bioactive molecules. Its specific characteristics, such as melting point, boiling point, and solubility, would typically be determined through experimental methods and may vary based on purity and environmental conditions.

Formula: C₁₂H₁₁ClN₂O₃

InChI: InChI=1S/C12H11ClN2O3/c1-18-12(17)7-9-6-11(16)15(14-9)10-4-2-3-8(13)5-10/h2-6,14H,7H2,1H3

InChI key: InChIKey=AGUAVWOOIHFSBN-UHFFFAOYSA-N

SMILES: O=C1N(NC(CC(OC)=O)=C1)C2=CC(Cl)=CC=C2

Synonyms:

• 1H-Pyrazole-3-acetic acid, 1-(3-chlorophenyl)-2,5-dihydro-5-oxo-, methyl ester
• Methyl 1-(3-chlorophenyl)-2,5-dihydro-5-oxo-1H-pyrazole-3-acetate