CAS 1354706-84-5

4-Iodo-1-(1-methylpropyl)-1H-pyrazole-3-carboxylic acid

Description:

4-Iodo-1-(1-methylpropyl)-1H-pyrazole-3-carboxylic acid is a chemical compound characterized by its pyrazole ring structure, which is a five-membered aromatic ring containing two adjacent nitrogen atoms. The presence of the iodo substituent introduces significant reactivity, particularly in nucleophilic substitution reactions. The carboxylic acid functional group contributes to its acidity and potential for forming hydrogen bonds, enhancing its solubility in polar solvents. The branched alkyl group (1-methylpropyl) attached to the pyrazole ring influences its steric properties and can affect its biological activity. This compound may exhibit interesting pharmacological properties, making it of interest in medicinal chemistry. Its molecular structure suggests potential applications in agrochemicals or pharmaceuticals, particularly in the development of new drugs or herbicides. As with many pyrazole derivatives, it may also display unique interactions with biological targets, warranting further investigation into its mechanism of action and efficacy. Safety and handling precautions should be observed due to the presence of iodine, which can pose health risks.

Formula: C₈H₁₁IN₂O₂

InChI: InChI=1S/C8H11IN2O2/c1-3-5(2)11-4-6(9)7(10-11)8(12)13/h4-5H,3H2,1-2H3,(H,12,13)

InChI key: InChIKey=IHFHYWINOXCAON-UHFFFAOYSA-N

SMILES: C(CC)(C)N1N=C(C(O)=O)C(I)=C1

Synonyms:

• 4-Iodo-1-(1-methylpropyl)-1H-pyrazole-3-carboxylic acid
• 1H-Pyrazole-3-carboxylic acid, 4-iodo-1-(1-methylpropyl)-