CAS 72578-54-2

2-Amino-1-(3-chlorophenyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile

Description:

2-Amino-1-(3-chlorophenyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile is a chemical compound characterized by its pyrrole ring structure, which is a five-membered aromatic heterocycle containing nitrogen. This compound features an amino group (-NH2) and a cyano group (-C≡N) attached to the pyrrole, contributing to its reactivity and potential applications in pharmaceuticals or agrochemicals. The presence of a 3-chlorophenyl group enhances its lipophilicity and may influence its biological activity. The dimethyl substitutions at the 4 and 5 positions of the pyrrole ring can affect the compound's steric and electronic properties, potentially impacting its interaction with biological targets. This compound is typically synthesized through multi-step organic reactions and may be of interest in medicinal chemistry due to its structural features that could lead to various biological activities. As with many organic compounds, safety and handling precautions should be observed, as it may exhibit toxicity or other hazardous properties.

Formula: C₁₃H₁₂ClN₃

InChI: InChI=1S/C13H12ClN3/c1-8-9(2)17(13(16)12(8)7-15)11-5-3-4-10(14)6-11/h3-6H,16H2,1-2H3

InChI key: InChIKey=LAICMSHWIXBOHV-UHFFFAOYSA-N

SMILES: NC=1N(C(C)=C(C)C1C#N)C2=CC(Cl)=CC=C2

Synonyms:

• 1H-Pyrrole-3-carbonitrile, 2-amino-1-(3-chlorophenyl)-4,5-dimethyl-
• 2-Amino-1-(3-chlorophenyl)-4,5-dimethyl-1H-pyrrole-3-carbonitrile