CAS 1177343-95-1

Ethyl 3-methyl-1-[(4-phenoxyphenyl)sulfonyl]-1H-pyrazole-5-carboxylate

Description:

Ethyl 3-methyl-1-[(4-phenoxyphenyl)sulfonyl]-1H-pyrazole-5-carboxylate is a chemical compound characterized by its complex structure, which includes a pyrazole ring, a sulfonyl group, and an ethyl ester functional group. This compound typically exhibits properties associated with both pyrazole derivatives and sulfonyl compounds, such as potential biological activity and solubility in organic solvents. The presence of the phenoxyphenyl group may contribute to its lipophilicity, influencing its interaction with biological systems. Ethyl 3-methyl-1-[(4-phenoxyphenyl)sulfonyl]-1H-pyrazole-5-carboxylate may be of interest in medicinal chemistry, particularly for its potential applications in drug development, given the biological relevance of pyrazole derivatives. Its synthesis involves multi-step organic reactions, and it may be characterized using techniques such as NMR spectroscopy, mass spectrometry, and infrared spectroscopy to confirm its structure and purity. As with many chemical substances, safety data sheets should be consulted for handling and toxicity information.

Formula: C₁₉H₁₈N₂O₅S

InChI: InChI=1S/C19H18N2O5S/c1-3-25-19(22)18-13-14(2)20-21(18)27(23,24)17-11-9-16(10-12-17)26-15-7-5-4-6-8-15/h4-13H,3H2,1-2H3

InChI key: InChIKey=IWZJRMYADHKUSP-UHFFFAOYSA-N

SMILES: S(=O)(=O)(N1C(C(OCC)=O)=CC(C)=N1)C2=CC=C(OC3=CC=CC=C3)C=C2

Synonyms:

• 1H-Pyrazole-5-carboxylic acid, 3-methyl-1-[(4-phenoxyphenyl)sulfonyl]-, ethyl ester
• Ethyl 3-methyl-1-[(4-phenoxyphenyl)sulfonyl]-1H-pyrazole-5-carboxylate