CAS 926190-37-6

5-Amino-4-cyano-1-(4-methylphenyl)-1H-pyrazole-3-acetonitrile

Description:

5-Amino-4-cyano-1-(4-methylphenyl)-1H-pyrazole-3-acetonitrile is a chemical compound characterized by its pyrazole core, which is a five-membered ring containing two nitrogen atoms. This compound features an amino group and a cyano group, contributing to its reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The presence of the 4-methylphenyl substituent enhances its lipophilicity, which may influence its biological activity and solubility properties. The acetonitrile moiety adds to the compound's versatility, making it suitable for various synthetic pathways. Its molecular structure suggests potential interactions with biological targets, making it of interest in medicinal chemistry. Additionally, the compound's stability and reactivity can be influenced by the functional groups present, which may affect its behavior in different chemical environments. Overall, 5-Amino-4-cyano-1-(4-methylphenyl)-1H-pyrazole-3-acetonitrile is a notable compound for research and development in chemical synthesis and biological applications.

Formula: C₁₃H₁₁N₅

InChI: InChI=1S/C13H11N5/c1-9-2-4-10(5-3-9)18-13(16)11(8-15)12(17-18)6-7-14/h2-5H,6,16H2,1H3

InChI key: InChIKey=YDNIIMASHHEFAE-UHFFFAOYSA-N

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

Synonyms:

• 1H-Pyrazole-3-acetonitrile, 5-amino-4-cyano-1-(4-methylphenyl)-
• 5-Amino-4-cyano-1-(4-methylphenyl)-1H-pyrazole-3-acetonitrile