CAS 6402-06-8

3-Ethyl 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate

Description:

3-Ethyl 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate, with CAS number 6402-06-8, is a chemical compound characterized by its pyrazole core structure, which features a carboxylate group and a sulfonic acid derivative. This compound typically exhibits properties such as moderate solubility in polar solvents due to the presence of the sulfonic acid group, which enhances its hydrophilicity. The presence of the ethyl group contributes to its hydrophobic characteristics, while the carbonyl and carboxylate functionalities can participate in various chemical reactions, including esterification and nucleophilic attacks. It may also exhibit biological activity, making it of interest in pharmaceutical research. The compound's stability can be influenced by pH and temperature, and it may undergo degradation under extreme conditions. Overall, its unique structure and functional groups make it a versatile compound in both synthetic and medicinal chemistry applications.

Formula: C₁₂H₁₂N₂O₆S

InChI: InChI=1S/C12H12N2O6S/c1-2-20-12(16)10-7-11(15)14(13-10)8-3-5-9(6-4-8)21(17,18)19/h3-6H,2,7H2,1H3,(H,17,18,19)

InChI key: InChIKey=ODFCMJFINVPRFA-UHFFFAOYSA-N

SMILES: O=C1N(N=C(C(OCC)=O)C1)C2=CC=C(S(=O)(=O)O)C=C2

Synonyms:

• 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, 3-ethyl ester
• 2-Pyrazoline-3-carboxylic acid, 5-oxo-1-(p-sulfophenyl)-, 3-ethyl ester
• 2-Pyrazoline-3-carboxylic acid, 5-oxo-1-(p-sulfophenyl)-, ethyl ester
• 3-Ethyl 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate
• 4-(3-(Ethoxycarbonyl)-5-Oxo-4,5-Dihydropyrazol-1-Yl)Benzenesulfonic Acid
• 4-[3-(ethoxycarbonyl)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonic acid