CAS 1017802-89-9

Ethyl 3-(acetylamino)-5-bromo-1-methyl-1H-pyrazole-4-carboxylate

Description:

Ethyl 3-(acetylamino)-5-bromo-1-methyl-1H-pyrazole-4-carboxylate is a chemical compound characterized by its complex structure, which includes a pyrazole ring, an acetylamino group, and a carboxylate ester. This compound typically exhibits properties associated with both pyrazole derivatives and carboxylic acids, such as moderate solubility in organic solvents and potential reactivity due to the presence of functional groups. The bromine atom introduces halogen characteristics, which can influence the compound's reactivity and stability. Ethyl esters generally have a pleasant odor and are often used in organic synthesis. The presence of the acetylamino group suggests potential applications in medicinal chemistry, as such moieties are often found in bioactive compounds. Additionally, the compound may exhibit specific biological activities, making it of interest for pharmaceutical research. Overall, its unique combination of functional groups and structural features positions it as a versatile compound in both synthetic and medicinal chemistry contexts.

Formula: C₉H₁₂BrN₃O₃

InChI: InChI=1S/C9H12BrN3O3/c1-4-16-9(15)6-7(10)13(3)12-8(6)11-5(2)14/h4H2,1-3H3,(H,11,12,14)

InChI key: InChIKey=QCLBMJPSVPRPLE-UHFFFAOYSA-N

SMILES: N(C(C)=O)C=1C(C(OCC)=O)=C(Br)N(C)N1

Synonyms:

• 3-Acetylamino-5-bromo-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester
• Ethyl 3-(acetylamino)-5-bromo-1-methyl-1H-pyrazole-4-carboxylate
• 1H-Pyrazole-4-carboxylic acid, 3-(acetylamino)-5-bromo-1-methyl-, ethyl ester