CAS 1260658-81-8

1-(1-Methylethyl)-3-nitro-1H-pyrazole-5-acetonitrile

Description:

1-(1-Methylethyl)-3-nitro-1H-pyrazole-5-acetonitrile, identified by its CAS number 1260658-81-8, is a chemical compound that belongs to the class of pyrazoles, which are five-membered heterocyclic compounds containing two nitrogen atoms. This substance features a nitro group and an acetonitrile functional group, contributing to its reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The presence of the isopropyl group (1-methylethyl) enhances its lipophilicity, which may influence its biological activity and solubility properties. The compound's structure suggests it may exhibit interesting chemical behavior, such as participating in nucleophilic substitutions or acting as a ligand in coordination chemistry. Its specific characteristics, including melting point, boiling point, and solubility, would depend on the molecular interactions and the environment in which it is studied. Overall, this compound's unique structure and functional groups make it a subject of interest for further research and application development.

Formula: C₈H₁₀N₄O₂

InChI: InChI=1S/C8H10N4O2/c1-6(2)11-7(3-4-9)5-8(10-11)12(13)14/h5-6H,3H2,1-2H3

InChI key: InChIKey=KPIWTKRFXJEFGQ-UHFFFAOYSA-N

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

Synonyms:

• 1-(1-Methylethyl)-3-nitro-1H-pyrazole-5-acetonitrile
• 1H-Pyrazole-5-acetonitrile, 1-(1-methylethyl)-3-nitro-