CAS 92406-54-7

1-Methylethyl 5-amino-1-methyl-1H-pyrazole-3-carboxylate

Description:

1-Methylethyl 5-amino-1-methyl-1H-pyrazole-3-carboxylate, identified by its CAS number 92406-54-7, is a chemical compound that belongs to the class of pyrazole derivatives. This substance typically features a pyrazole ring, which is a five-membered ring containing two nitrogen atoms, contributing to its unique reactivity and biological properties. The presence of an amino group and a carboxylate moiety suggests potential for hydrogen bonding and interactions with biological targets, making it of interest in medicinal chemistry. The ethyl and methyl substituents enhance its lipophilicity, potentially influencing its pharmacokinetic properties. This compound may exhibit various biological activities, including anti-inflammatory or analgesic effects, although specific biological data would depend on empirical studies. As with many organic compounds, it is essential to handle it with care, considering safety data sheets for toxicity and reactivity information. Overall, 1-Methylethyl 5-amino-1-methyl-1H-pyrazole-3-carboxylate represents a structurally interesting compound with potential applications in drug development.

Formula: C₈H₁₃N₃O₂

InChI: InChI=1S/C8H13N3O2/c1-5(2)13-8(12)6-4-7(9)11(3)10-6/h4-5H,9H2,1-3H3

InChI key: InChIKey=JAVHVQDAHMZTOF-UHFFFAOYSA-N

SMILES: C(OC(C)C)(=O)C=1C=C(N)N(C)N1

Synonyms:

• 1-Methylethyl 5-amino-1-methyl-1H-pyrazole-3-carboxylate
• 1H-Pyrazole-3-carboxylic acid, 5-amino-1-methyl-, 1-methylethyl ester