CAS 134161-75-4

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

Description:

5-(4-Methoxyphenyl)-1H-pyrazole-3-acetonitrile, with the CAS number 134161-75-4, is an organic compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features a methoxyphenyl group at the 5-position and an acetonitrile group at the 3-position of the pyrazole ring. The presence of the methoxy group enhances its lipophilicity and may influence its biological activity, making it of interest in medicinal chemistry. The acetonitrile moiety contributes to its polar characteristics, potentially affecting solubility and reactivity. This compound may exhibit various chemical properties, including potential reactivity in nucleophilic substitutions or electrophilic additions due to the presence of the nitrile group. Its structural features suggest potential applications in pharmaceuticals, particularly in the development of compounds with anti-inflammatory or analgesic properties. As with many organic compounds, its stability, reactivity, and biological activity would depend on specific environmental conditions and the presence of other functional groups.

Formula: C₁₂H₁₁N₃O

InChI: InChI=1S/C12H11N3O/c1-16-11-4-2-9(3-5-11)12-8-10(6-7-13)14-15-12/h2-5,8H,6H2,1H3,(H,14,15)

InChI key: InChIKey=ZVGCJBIDARLIMB-UHFFFAOYSA-N

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

Synonyms:

• 2-[3-(4-Methoxyphenyl)-1H-pyrazol-5-yl]acetonitrile
• 1H-Pyrazole-3-acetonitrile, 5-(4-methoxyphenyl)-
• [5-(4-Methoxy-phenyl)-1H-pyrazol-3-yl]-acetonitrile
• 2-[5-(4-Methoxyphenyl)-1H-pyrazol-3-yl]acetonitrile
• 5-(4-Methoxyphenyl)-1H-pyrazole-3-acetonitrile