CAS 957511-87-4

1-(5-methyl-3-nitro-1H-pyrazol-1-yl)propan-2-one

Description:

1-(5-methyl-3-nitro-1H-pyrazol-1-yl)propan-2-one, identified by its CAS number 957511-87-4, is a chemical compound characterized by its pyrazole ring structure, which contributes to its unique reactivity and properties. This compound features a nitro group and a methyl substituent on the pyrazole ring, enhancing its potential for various chemical reactions, including nucleophilic substitutions and electrophilic additions. The presence of the ketone functional group (propan-2-one) indicates that it can participate in condensation reactions and serve as a precursor for further synthetic modifications. Its molecular structure suggests moderate polarity, which may influence its solubility in organic solvents. Additionally, the compound's potential applications could span across pharmaceuticals and agrochemicals, given the bioactive nature of pyrazole derivatives. Safety and handling precautions should be observed, as with many nitro-containing compounds, due to potential toxicity and environmental concerns. Overall, this compound represents a versatile building block in organic synthesis and medicinal chemistry.

Formula: C₇H₉N₃O₃

InChI: InChI=1/C7H9N3O3/c1-5-3-7(10(12)13)8-9(5)4-6(2)11/h3H,4H2,1-2H3

SMILES: Cc1cc(nn1CC(=O)C)N(=O)=O