CAS 1033076-72-0

4-[(3,5-Dimethyl-1H-pyrazol-4-yl)methyl]-5-methyl-3-isoxazolecarboxylic acid

Description:

4-[(3,5-Dimethyl-1H-pyrazol-4-yl)methyl]-5-methyl-3-isoxazolecarboxylic acid is a chemical compound characterized by its complex structure, which includes a pyrazole and isoxazole moiety. This compound typically exhibits properties such as moderate solubility in polar solvents, which is common for carboxylic acids due to their ability to form hydrogen bonds. The presence of multiple methyl groups contributes to its hydrophobic characteristics, potentially influencing its biological activity and interactions. The compound may exhibit acidic behavior due to the carboxylic acid functional group, allowing it to participate in various chemical reactions, including esterification and amidation. Its unique structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, where pyrazole and isoxazole derivatives are often explored for their biological activities. Additionally, the compound's specific stereochemistry and functional groups may play a crucial role in its reactivity and interaction with biological targets, making it a subject of interest in drug design and development.

Formula: C₁₁H₁₃N₃O₃

InChI: InChI=1S/C11H13N3O3/c1-5-8(6(2)13-12-5)4-9-7(3)17-14-10(9)11(15)16/h4H2,1-3H3,(H,12,13)(H,15,16)

InChI key: InChIKey=CCSWELOITWWLFL-UHFFFAOYSA-N

SMILES: C(C=1C(C(O)=O)=NOC1C)C=2C(C)=NNC2C

Synonyms:

• 4-[(3,5-Dimethyl-1H-pyrazol-4-yl)methyl]-5-methyl-3-isoxazolecarboxylic acid
• 3-Isoxazolecarboxylic acid, 4-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-5-methyl-