CAS 17417-12-8

5-Nitro-2-(1H-pyrazol-1-yl)benzonitrile

Description:

5-Nitro-2-(1H-pyrazol-1-yl)benzonitrile is an organic compound characterized by its complex structure, which includes a nitro group, a pyrazole moiety, and a benzonitrile functional group. The presence of the nitro group typically imparts significant polarity and can influence the compound's reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. The pyrazole ring contributes to the compound's heterocyclic nature, which can enhance its biological activity and solubility in organic solvents. The benzonitrile part of the molecule provides a stable aromatic system, which is often associated with increased stability and resistance to degradation. This compound may exhibit interesting pharmacological properties, making it of interest in medicinal chemistry. Additionally, its unique combination of functional groups could allow for diverse applications in fields such as agrochemicals, dyes, or as intermediates in organic synthesis. As with many nitro-containing compounds, care should be taken regarding its handling and storage due to potential toxicity and environmental impact.

Formula: C₁₀H₆N₄O₂

InChI: InChI=1S/C10H6N4O2/c11-7-8-6-9(14(15)16)2-3-10(8)13-5-1-4-12-13/h1-6H

InChI key: InChIKey=WEXDLUQSKVCVHE-UHFFFAOYSA-N

SMILES: C(#N)C1=C(C=CC(N(=O)=O)=C1)N2C=CC=N2

Synonyms:

• 5-Nitro-2-(1H-pyrazol-1-yl)benzonitrile
• Benzonitrile, 5-nitro-2-(1H-pyrazol-1-yl)-
• Benzonitrile, 5-nitro-2-pyrazol-1-yl-