CAS 1354704-33-8

4-Iodo-1-methyl-5-nitro-1H-pyrazole-3-carboxylic acid

Description:

4-Iodo-1-methyl-5-nitro-1H-pyrazole-3-carboxylic acid is a heterocyclic organic compound characterized by its pyrazole ring structure, which contains both nitro and carboxylic acid functional groups. The presence of the iodine atom at the 4-position and the nitro group at the 5-position contributes to its unique reactivity and potential applications in medicinal chemistry. This compound is typically a solid at room temperature and may exhibit moderate solubility in polar solvents due to the carboxylic acid group. Its molecular structure suggests potential for various chemical reactions, including nucleophilic substitutions and coupling reactions, making it of interest in the development of pharmaceuticals and agrochemicals. Additionally, the presence of the nitro group may impart specific electronic properties, influencing its behavior in biological systems. Safety data should be consulted for handling, as halogenated compounds can pose health risks. Overall, 4-Iodo-1-methyl-5-nitro-1H-pyrazole-3-carboxylic acid is a compound of interest for further research and application in various chemical fields.

Formula: C₅H₄IN₃O₄

InChI: InChI=1S/C5H4IN3O4/c1-8-4(9(12)13)2(6)3(7-8)5(10)11/h1H3,(H,10,11)

InChI key: InChIKey=JBDRKUAXLMZKEB-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C(I)C(C(O)=O)=NN1C

Synonyms:

• 4-Iodo-1-methyl-5-nitro-1H-pyrazole-3-carboxylic acid
• 1H-Pyrazole-3-carboxylic acid, 4-iodo-1-methyl-5-nitro-