CAS 113336-25-7

3-Methyl-1H-pyrazole-1-acetonitrile

Description:

3-Methyl-1H-pyrazole-1-acetonitrile is an organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. This compound features a methyl group attached to the pyrazole ring and an acetonitrile functional group, which contributes to its reactivity and potential applications in various chemical reactions. It is typically a colorless to pale yellow liquid or solid, depending on its form and purity. The presence of the acetonitrile group suggests that it may exhibit polar characteristics, making it soluble in polar solvents. This compound is of interest in medicinal chemistry and agrochemicals due to its potential biological activity and utility in synthesizing other complex molecules. Safety data indicates that, like many nitriles, it should be handled with care due to potential toxicity and irritant properties. Overall, 3-Methyl-1H-pyrazole-1-acetonitrile is a versatile compound with applications in research and industry, particularly in the development of pharmaceuticals and agrochemicals.

Formula: C₆H₇N₃

InChI: InChI=1S/C6H7N3/c1-6-2-4-9(8-6)5-3-7/h2,4H,5H2,1H3

InChI key: InChIKey=KJTZQQSHCZIVAL-UHFFFAOYSA-N

SMILES: C(C#N)N1N=C(C)C=C1

Synonyms:

• (3-Methyl-1H-pyrazol-1-yl)acetonitrile
• 1H-Pyrazole-1-acetonitrile, 3-methyl-
• 2-(3-Methyl-1H-pyrazol-1-yl)acetonitrile
• 2-(3-Methylpyrazol-1-yl)acetonitrile
• 3-Methyl-1H-pyrazole-1-acetonitrile