CAS 1260659-28-6

1-Methyl-5-nitro-1H-pyrazole-3-acetic acid

Description:

1-Methyl-5-nitro-1H-pyrazole-3-acetic acid is a chemical compound characterized by its pyrazole ring structure, which is a five-membered aromatic ring containing two nitrogen atoms. The presence of a methyl group at the 1-position and a nitro group at the 5-position contributes to its unique reactivity and properties. The acetic acid functional group at the 3-position enhances its solubility in polar solvents and may influence its biological activity. This compound is typically a solid at room temperature and may exhibit moderate stability under standard conditions. Its nitro group can participate in various chemical reactions, including reduction and nucleophilic substitution, making it a potential candidate for further chemical synthesis and applications in pharmaceuticals or agrochemicals. Additionally, the compound's molecular structure suggests potential interactions with biological systems, which may warrant investigation for its pharmacological properties. As with many nitro-containing compounds, it is essential to handle it with care due to potential toxicity and environmental considerations.

Formula: C₆H₇N₃O₄

InChI: InChI=1S/C6H7N3O4/c1-8-5(9(12)13)2-4(7-8)3-6(10)11/h2H,3H2,1H3,(H,10,11)

InChI key: InChIKey=UNTZOJKUFPMZNU-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=CC(CC(O)=O)=NN1C

Synonyms:

• 1-Methyl-5-nitro-1H-pyrazole-3-acetic acid
• 1H-Pyrazole-3-acetic acid, 1-methyl-5-nitro-