CAS 1004643-51-9

1-Ethyl-4-nitro-1H-pyrazole-5-carbonitrile

Description:

1-Ethyl-4-nitro-1H-pyrazole-5-carbonitrile is a chemical compound characterized by its pyrazole ring structure, which is a five-membered heterocyclic compound containing two nitrogen atoms. This substance features an ethyl group at the 1-position and a nitro group at the 4-position of the pyrazole ring, along with a carbonitrile functional group at the 5-position. The presence of the nitro group contributes to its potential reactivity and polarity, while the carbonitrile group enhances its ability to participate in nucleophilic reactions. This compound is typically used in organic synthesis and may have applications in pharmaceuticals or agrochemicals due to its unique structural features. Its properties, such as solubility, melting point, and stability, can vary based on environmental conditions and the presence of other chemical entities. As with many nitro-containing compounds, it may exhibit specific safety and handling considerations due to potential toxicity or reactivity.

Formula: C₆H₆N₄O₂

InChI: InChI=1S/C6H6N4O2/c1-2-9-5(3-7)6(4-8-9)10(11)12/h4H,2H2,1H3

InChI key: InChIKey=WZILMQGTSBVSSN-UHFFFAOYSA-N

SMILES: C(#N)C1=C(N(=O)=O)C=NN1CC

Synonyms:

• 1-Ethyl-4-nitro-1H-pyrazole-5-carbonitrile
• 1H-Pyrazole-5-carbonitrile, 1-ethyl-4-nitro-
• AKOS B020923
• ART-CHEM-BB B020923
• 2-ETHYL-4-NITRO-2 H-PYRAZOLE-3-CARBONITRILE