CAS 116922-23-7

1H-Pyrazole, 3-methyl-4-(4-nitrophenyl)-

Description:

1H-Pyrazole, 3-methyl-4-(4-nitrophenyl)-, with the CAS number 116922-23-7, 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 methyl group at the 3-position and a para-nitrophenyl group at the 4-position, contributing to its unique chemical properties. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. The presence of the nitro group enhances its reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions and coupling reactions. Additionally, the compound may possess biological activity, which could be of interest in pharmaceutical research. Its synthesis often involves multi-step organic reactions, and it can be characterized using techniques such as NMR spectroscopy, mass spectrometry, and infrared spectroscopy to confirm its structure and purity. Safety data should be consulted for handling and storage, as nitro compounds can be sensitive and potentially hazardous.

Formula: C₁₀H₉N₃O₂

InChI: InChI=1S/C10H9N3O2/c1-7-10(6-11-12-7)8-2-4-9(5-3-8)13(14)15/h2-6H,1H3,(H,11,12)

InChI key: InChIKey=GJWDUXADZJEJDI-UHFFFAOYSA-N

SMILES: CC=1C(=CNN1)C2=CC=C(N(=O)=O)C=C2

Synonyms:

• 3-Methyl-4-(4-nitrophenyl)-1H-pyrazole
• 1H-Pyrazole, 3-methyl-4-(4-nitrophenyl)-