CAS 1251924-86-3

1-Methyl-1H-pyrazole-4-butanenitrile

Description:

1-Methyl-1H-pyrazole-4-butanenitrile is an organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two adjacent nitrogen atoms. This compound features a butanenitrile side chain, contributing to its chemical reactivity and potential applications. It is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. The presence of the nitrile functional group (-C≡N) indicates that it may exhibit polar characteristics, influencing its solubility in various solvents. The compound is of interest in medicinal chemistry and agrochemicals, often studied for its biological activity and potential as a building block in the synthesis of more complex molecules. Its CAS number, 1251924-86-3, uniquely identifies it in chemical databases, facilitating research and regulatory compliance. Safety data sheets should be consulted for handling and storage guidelines, as with any chemical substance, to ensure safe laboratory practices.

Formula: C₈H₁₁N₃

InChI: InChI=1S/C8H11N3/c1-11-7-8(6-10-11)4-2-3-5-9/h6-7H,2-4H2,1H3

InChI key: InChIKey=TXHUQHFIAHWNCR-UHFFFAOYSA-N

SMILES: C(CCC#N)C1=CN(C)N=C1

Synonyms:

• 1-Methyl-1H-pyrazole-4-butanenitrile
• 1H-Pyrazole-4-butanenitrile, 1-methyl-