CAS 1170836-29-9

1,3-Dimethyl-3′-(trifluoromethyl)[4,5′-bi-1H-pyrazole]-1′-propanenitrile

Description:

1,3-Dimethyl-3′-(trifluoromethyl)[4,5′-bi-1H-pyrazole]-1′-propanenitrile is a chemical compound characterized by its complex structure, which includes a bi-pyrazole framework and a trifluoromethyl group. This compound features a propanenitrile moiety, contributing to its potential reactivity and applications in various chemical processes. The presence of the trifluoromethyl group enhances its lipophilicity and may influence its biological activity, making it of interest in medicinal chemistry. The dimethyl substituents on the pyrazole rings can affect the compound's steric and electronic properties, potentially impacting its interactions with biological targets. As a nitrile, it may also participate in nucleophilic addition reactions, making it versatile in synthetic organic chemistry. The compound's unique structural features suggest potential applications in agrochemicals, pharmaceuticals, or as a building block in organic synthesis. However, specific safety and handling information should be consulted, as with any chemical substance, to ensure proper usage and compliance with regulatory standards.

Formula: C₁₂H₁₂F₃N₅

InChI: InChI=1S/C12H12F3N5/c1-8-9(7-19(2)17-8)10-6-11(12(13,14)15)18-20(10)5-3-4-16/h6-7H,3,5H2,1-2H3

InChI key: InChIKey=KWXGEWHSPKFHOV-UHFFFAOYSA-N

SMILES: C(CC#N)N1C(=CC(C(F)(F)F)=N1)C2=CN(C)N=C2C

Synonyms:

• 1,3-Dimethyl-3′-(trifluoromethyl)[4,5′-bi-1H-pyrazole]-1′-propanenitrile
• [4,5′-Bi-1H-pyrazole]-1′-propanenitrile, 1,3-dimethyl-3′-(trifluoromethyl)-