CAS 134161-76-5

5-(4-Chlorophenyl)-1H-pyrazole-3-acetonitrile

Description:

5-(4-Chlorophenyl)-1H-pyrazole-3-acetonitrile, with the CAS number 134161-76-5, is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. The presence of a 4-chlorophenyl group indicates that there is a chlorinated phenyl substituent at the 5-position of the pyrazole ring, contributing to its potential biological activity and lipophilicity. The acetonitrile functional group at the 3-position introduces a nitrile moiety, which can enhance the compound's reactivity and solubility in polar solvents. This compound is of interest in medicinal chemistry and may exhibit various pharmacological properties, making it a candidate for further research in drug development. Its structural features suggest potential applications in agrochemicals or pharmaceuticals, particularly in the development of compounds with anti-inflammatory or analgesic properties. As with many organic compounds, its stability, reactivity, and interactions with biological systems would depend on the specific conditions under which it is studied.

Formula: C₁₁H₈ClN₃

InChI: InChI=1S/C11H8ClN3/c12-9-3-1-8(2-4-9)11-7-10(5-6-13)14-15-11/h1-4,7H,5H2,(H,14,15)

InChI key: InChIKey=ZWKKHRLWUFOSPA-UHFFFAOYSA-N

SMILES: C(C#N)C=1C=C(NN1)C2=CC=C(Cl)C=C2

Synonyms:

• [5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-acetonitrile
• 5-(4-Chlorophenyl)-1H-pyrazole-3-acetonitrile
• 2-[5-(4-Chlorophenyl)-1H-pyrazol-3-yl]acetonitrile
• 1H-Pyrazole-3-acetonitrile, 5-(4-chlorophenyl)-
• 2-[3-(4-Chlorophenyl)-1H-pyrazol-5-yl]acetonitrile