CAS 1354704-43-0

Methyl 4-iodo-1-methyl-5-nitro-1H-pyrazole-3-carboxylate

Description:

Methyl 4-iodo-1-methyl-5-nitro-1H-pyrazole-3-carboxylate is a chemical compound characterized by its pyrazole ring structure, which is a five-membered heterocyclic compound containing two nitrogen atoms. The presence of the iodo group at the 4-position and the nitro group at the 5-position contributes to its reactivity and potential applications in organic synthesis and medicinal chemistry. The methyl ester functional group at the 3-position enhances its solubility in organic solvents and may influence its biological activity. This compound is likely to exhibit polar characteristics due to the nitro group, which can participate in hydrogen bonding. Its molecular structure suggests potential uses in the development of pharmaceuticals, agrochemicals, or as an intermediate in synthetic pathways. Safety and handling precautions should be observed due to the presence of iodine and nitro groups, which can pose health risks. As with many pyrazole derivatives, it may also exhibit interesting pharmacological properties, warranting further investigation into its biological effects.

Formula: C₆H₆IN₃O₄

InChI: InChI=1S/C6H6IN3O4/c1-9-5(10(12)13)3(7)4(8-9)6(11)14-2/h1-2H3

InChI key: InChIKey=LXHDLIUHVCNCJM-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C(I)=C(N(=O)=O)N(C)N1

Synonyms:

• Methyl 4-iodo-1-methyl-5-nitro-1H-pyrazole-3-carboxylate
• 1H-Pyrazole-3-carboxylic acid, 4-iodo-1-methyl-5-nitro-, methyl ester