CAS 1006348-47-5

β-Methyl-1H-pyrazole-1-propanenitrile

Description:

β-Methyl-1H-pyrazole-1-propanenitrile is a chemical compound characterized by its pyrazole ring structure, which is a five-membered ring containing two adjacent nitrogen atoms. This compound features a methyl group at the beta position relative to the pyrazole nitrogen and a propanenitrile group, which introduces a cyano functional group (-C≡N) that contributes to its reactivity and potential applications. The presence of the cyano group often enhances the compound's ability to participate in nucleophilic reactions, making it valuable in synthetic organic chemistry. β-Methyl-1H-pyrazole-1-propanenitrile may exhibit biological activity, which can be explored for pharmaceutical applications, particularly in the development of agrochemicals or medicinal compounds. Its properties, such as solubility, stability, and reactivity, can vary based on environmental conditions and the presence of other functional groups. As with many pyrazole derivatives, it may also exhibit interesting coordination chemistry with metal ions, potentially leading to the formation of metal complexes.

Formula: C₇H₉N₃

InChI: InChI=1S/C7H9N3/c1-7(3-4-8)10-6-2-5-9-10/h2,5-7H,3H2,1H3

InChI key: InChIKey=QIYPJWZITYIHLC-UHFFFAOYSA-N

SMILES: C(CC#N)(C)N1C=CC=N1

Synonyms:

• β-Methyl-1H-pyrazole-1-propanenitrile
• 3-Pyrazol-1-ylbutanenitrile
• 1H-Pyrazole-1-propanenitrile, β-methyl-