CAS 477710-45-5

Ethyl 3,5-dimethyl-1-[5-[(2-thienylcarbonyl)amino]-2-pyridinyl]-1H-pyrazole-4-carboxylate

Description:

Ethyl 3,5-dimethyl-1-[5-[(2-thienylcarbonyl)amino]-2-pyridinyl]-1H-pyrazole-4-carboxylate, with the CAS number 477710-45-5, is a synthetic organic compound characterized by its complex molecular structure, which includes a pyrazole ring, a pyridine moiety, and a thienylcarbonyl group. This compound typically exhibits properties such as moderate solubility in organic solvents and potential bioactivity, making it of interest in pharmaceutical research. The presence of multiple functional groups suggests that it may engage in various chemical interactions, including hydrogen bonding and π-π stacking, which can influence its reactivity and stability. Additionally, the ethyl ester group contributes to its lipophilicity, potentially affecting its pharmacokinetic properties. The compound's unique structure may also confer specific biological activities, which are often explored in the context of drug development. Overall, this compound represents a class of heterocyclic compounds that are valuable in medicinal chemistry for their potential therapeutic applications.

Formula: C₁₈H₁₈N₄O₃S

InChI: InChI=1S/C18H18N4O3S/c1-4-25-18(24)16-11(2)21-22(12(16)3)15-8-7-13(10-19-15)20-17(23)14-6-5-9-26-14/h5-10H,4H2,1-3H3,(H,20,23)

InChI key: InChIKey=BZHMFRQJBKRGOM-UHFFFAOYSA-N

SMILES: CC=1N(N=C(C)C1C(OCC)=O)C2=CC=C(NC(=O)C3=CC=CS3)C=N2

Synonyms:

• 1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-1-[5-[(2-thienylcarbonyl)amino]-2-pyridinyl]-, ethyl ester
• Ethyl 3,5-dimethyl-1-[5-[(2-thienylcarbonyl)amino]-2-pyridinyl]-1H-pyrazole-4-carboxylate