CAS 55432-07-0

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

Description:

3-(4-Chlorophenyl)-1-phenyl-1H-pyrazole-4-acetonitrile, identified by its CAS number 55432-07-0, is a chemical compound that belongs to the class of pyrazoles, which are five-membered heterocyclic compounds containing two nitrogen atoms. This particular compound features a pyrazole ring substituted with a 4-chlorophenyl group and a phenyl group, along with an acetonitrile functional group. The presence of the chlorophenyl moiety contributes to its potential biological activity and lipophilicity, while the acetonitrile group may influence its reactivity and solubility properties. Typically, compounds of this nature are investigated for their pharmacological properties, including anti-inflammatory and analgesic effects. The molecular structure suggests that it may exhibit interesting interactions with biological targets, making it a candidate for further research in medicinal chemistry. Additionally, its synthesis and characterization would involve standard organic chemistry techniques, including purification methods such as recrystallization or chromatography.

Formula: C₁₇H₁₂ClN₃

InChI: InChI=1S/C17H12ClN3/c18-15-8-6-13(7-9-15)17-14(10-11-19)12-21(20-17)16-4-2-1-3-5-16/h1-9,12H,10H2

InChI key: InChIKey=SEISKGMLVBKBHK-UHFFFAOYSA-N

SMILES: C(C#N)C=1C(=NN(C1)C2=CC=CC=C2)C3=CC=C(Cl)C=C3

Synonyms:

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

2-[3-(4-Chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]acetonitrile

CAS: 55432-07-0

Versatile small molecule scaffold

Formula: C₁₇H₁₂ClN₃

Purity: Min. 95%

Molecular weight: 293.7 g/mol

Ref: 3D-FCA43207