CAS 1235439-74-3

1-(3-Chlorophenyl)-1H-pyrazole-4-carbonitrile

Description:

1-(3-Chlorophenyl)-1H-pyrazole-4-carbonitrile is a chemical compound characterized by its pyrazole ring structure, which is a five-membered aromatic heterocycle containing two nitrogen atoms. The presence of a 3-chlorophenyl group indicates that a chlorine atom is substituted on the phenyl ring at the meta position relative to the pyrazole. The carbonitrile functional group (-C≡N) is attached to the pyrazole at the 4-position, contributing to the compound's reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. This compound may exhibit biological activity due to its structural features, making it of interest in medicinal chemistry. Its properties, such as solubility, melting point, and stability, can vary based on the specific conditions and solvents used. Additionally, the presence of the chlorophenyl and carbonitrile groups can influence its electronic properties and interactions with other molecules, which are crucial for its potential applications in drug design and development.

Formula: C₁₀H₆ClN₃

InChI: InChI=1S/C10H6ClN3/c11-9-2-1-3-10(4-9)14-7-8(5-12)6-13-14/h1-4,6-7H

InChI key: InChIKey=GLPMKSMXDTXFQI-UHFFFAOYSA-N

SMILES: C(#N)C1=CN(N=C1)C2=CC(Cl)=CC=C2

Synonyms:

• 1H-Pyrazole-4-carbonitrile, 1-(3-chlorophenyl)-
• 1-(3-Chlorophenyl)-1H-pyrazole-4-carbonitrile

1-(3-Chlorophenyl)-1H-pyrazole-4-carbonitrile

CAS: 1235439-74-3

Versatile small molecule scaffold

Formula: C₁₀H₆ClN₃

Purity: Min. 95%

Molecular weight: 203.63 g/mol

Ref: 3D-KZB43974