CAS 1001500-48-6

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

Description:

5-Methyl-3-(trifluoromethyl)-1H-pyrazole-1-acetonitrile is a chemical compound characterized by its unique pyrazole structure, which includes a methyl group and a trifluoromethyl group. This compound features a cyano group (-C≡N) attached to the pyrazole ring, contributing to its reactivity and potential applications in various chemical syntheses. The presence of the trifluoromethyl group enhances its lipophilicity and can influence its biological activity, making it of interest in medicinal chemistry. The compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its molecular structure suggests potential uses in agrochemicals, pharmaceuticals, or as an intermediate in organic synthesis. As with many fluorinated compounds, it may exhibit unique properties such as increased stability and altered reactivity compared to non-fluorinated analogs. Safety data should be consulted for handling and storage, as the trifluoromethyl group can impart specific hazards. Overall, this compound represents a versatile building block in the field of organic chemistry.

Formula: C₇H₆F₃N₃

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

InChI key: InChIKey=GNUKBYNNCXPBDK-UHFFFAOYSA-N

SMILES: C(F)(F)(F)C1=NN(CC#N)C(C)=C1

Synonyms:

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