CAS 1354706-75-4

1-Ethyl-4-iodo-5-nitro-1H-pyrazole-3-carboxylic acid

Description:

1-Ethyl-4-iodo-5-nitro-1H-pyrazole-3-carboxylic acid is a heterocyclic organic compound characterized by its pyrazole ring structure, which is a five-membered ring containing two nitrogen atoms. This compound features an ethyl group at the 1-position, an iodine atom at the 4-position, and a nitro group at the 5-position, along with a carboxylic acid functional group at the 3-position. The presence of these functional groups contributes to its chemical reactivity and potential applications in various fields, including pharmaceuticals and agrochemicals. The iodine substituent can enhance the compound's biological activity, while the nitro group may serve as a site for further chemical modifications. Additionally, the carboxylic acid group can participate in hydrogen bonding and influence the solubility and stability of the compound in different solvents. Overall, this compound's unique structural features make it of interest for research and development in medicinal chemistry and related disciplines.

Formula: C₆H₆IN₃O₄

InChI: InChI=1S/C6H6IN3O4/c1-2-9-5(10(13)14)3(7)4(8-9)6(11)12/h2H2,1H3,(H,11,12)

InChI key: InChIKey=FCRBKRAZBBRSRM-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C(I)C(C(O)=O)=NN1CC

Synonyms:

• 1-Ethyl-4-iodo-5-nitro-1H-pyrazole-3-carboxylic acid
• 1H-Pyrazole-3-carboxylic acid, 1-ethyl-4-iodo-5-nitro-