CAS 1328640-61-4

1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-acetonitrile

Description:

1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-acetonitrile is a chemical compound characterized by its unique structure, which includes a pyrazole ring substituted with a methyl group and a trifluoromethyl group, as well as an acetonitrile functional group. This compound is notable for its potential applications in various fields, including agrochemicals and pharmaceuticals, due to the presence of the trifluoromethyl group, which often enhances biological activity and lipophilicity. The pyrazole moiety contributes to its reactivity and interaction with biological targets. In terms of physical properties, it is typically a solid at room temperature, with solubility in organic solvents. The presence of the acetonitrile group suggests potential for nucleophilic reactions, making it a versatile intermediate in synthetic chemistry. Safety data should be consulted for handling, as compounds with trifluoromethyl groups can exhibit unique toxicological profiles. Overall, 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-acetonitrile is a compound of interest for research and development in various chemical applications.

Formula: C₇H₆F₃N₃

InChI: InChI=1S/C7H6F3N3/c1-13-5(2-3-11)4-6(12-13)7(8,9)10/h4H,2H2,1H3

InChI key: InChIKey=ISEAHNXKEIXGTH-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C=1C=C(CC#N)N(C)N1

Synonyms:

• 1H-Pyrazole-5-acetonitrile, 1-methyl-3-(trifluoromethyl)-
• 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-acetonitrile