CAS 1006348-59-9

Methyl 5-(1-methyl-1H-pyrazol-4-yl)-3-isoxazolecarboxylate

Description:

Methyl 5-(1-methyl-1H-pyrazol-4-yl)-3-isoxazolecarboxylate, identified by its CAS number 1006348-59-9, is a chemical compound characterized by its unique structural features, which include a pyrazole and isoxazole moiety. This compound typically exhibits properties such as moderate solubility in organic solvents and potential reactivity due to the presence of functional groups like the carboxylate ester. The pyrazole ring contributes to its biological activity, often making it of interest in medicinal chemistry for potential pharmacological applications. The isoxazole component may also impart specific electronic properties, influencing its reactivity and interaction with biological targets. Additionally, the methyl ester group enhances its lipophilicity, which can affect its absorption and distribution in biological systems. Overall, this compound's characteristics make it a subject of interest for research in various fields, including drug development and synthetic chemistry.

Formula: C₉H₉N₃O₃

InChI: InChI=1S/C9H9N3O3/c1-12-5-6(4-10-12)8-3-7(11-15-8)9(13)14-2/h3-5H,1-2H3

InChI key: InChIKey=XTINCNJUTCGQCT-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C=C(ON1)C=2C=NN(C)C2

Synonyms:

• 3-Isoxazolecarboxylic acid, 5-(1-methyl-1H-pyrazol-4-yl)-, methyl ester
• Methyl 5-(1-methyl-1H-pyrazol-4-yl)-3-isoxazolecarboxylate