CAS 1006459-06-8

5-(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-isoxazolecarboxylic acid

Description:

5-(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-isoxazolecarboxylic acid is a chemical compound characterized by its unique structure, which includes a pyrazole ring and an isoxazole moiety. This compound typically exhibits properties associated with heterocyclic compounds, such as potential biological activity and solubility in organic solvents. The presence of the carboxylic acid functional group suggests it may exhibit acidic behavior, influencing its reactivity and interactions in various chemical environments. Additionally, the ethyl and dimethyl substituents on the pyrazole ring can affect the compound's steric and electronic properties, potentially enhancing its lipophilicity and biological activity. Such compounds are often studied for their pharmacological properties, including anti-inflammatory or antimicrobial activities. The specific characteristics, such as melting point, boiling point, and solubility, would depend on the compound's purity and the conditions under which it is measured. Overall, this compound represents a class of organic molecules that may have significant applications in medicinal chemistry and drug development.

Formula: C₁₁H₁₃N₃O₃

InChI: InChI=1S/C11H13N3O3/c1-4-14-7(3)10(6(2)12-14)9-5-8(11(15)16)13-17-9/h5H,4H2,1-3H3,(H,15,16)

InChI key: InChIKey=SMXOIFNREBPGJC-UHFFFAOYSA-N

SMILES: CC1=C(C2=CC(C(O)=O)=NO2)C(C)=NN1CC

Synonyms:

• 3-Isoxazolecarboxylic acid, 5-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-
• 5-(1-Ethyl-3,5-dimethyl-1H-pyrazol-4-yl)-3-isoxazolecarboxylic acid