CAS 937601-37-1

3,5-Diethyl 7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3,5-dicarboxylate

Description:

3,5-Diethyl 7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3,5-dicarboxylate is a synthetic organic compound characterized by its complex heterocyclic structure, which includes a pyrazolo-pyrimidine framework. This compound features two ethyl groups at the 3 and 5 positions, enhancing its lipophilicity and potentially influencing its biological activity. The presence of a trifluoromethyl group at the 7 position contributes to its electronic properties, often increasing the compound's stability and reactivity. Additionally, the dicarboxylate functional groups at the 3 and 5 positions provide sites for potential interactions in biological systems, making it of interest in medicinal chemistry. The compound's unique structure may impart specific pharmacological properties, which could be explored in various applications, including drug development. Its CAS number, 937601-37-1, allows for precise identification in chemical databases and literature. Overall, this compound exemplifies the intricate design often found in modern synthetic chemistry, aimed at optimizing biological activity and selectivity.

Formula: C₁₃H₁₂F₃N₃O₄

InChI: InChI=1S/C13H12F3N3O4/c1-3-22-11(20)7-6-17-19-9(13(14,15)16)5-8(18-10(7)19)12(21)23-4-2/h5-6H,3-4H2,1-2H3

InChI key: InChIKey=INRNGZJMXYNPIL-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C1=C2N(C(C(F)(F)F)=CC(C(OCC)=O)=N2)N=C1

Synonyms:

• Pyrazolo[1,5-a]pyrimidine-3,5-dicarboxylic acid, 7-(trifluoromethyl)-, 3,5-diethyl ester
• 3,5-Diethyl 7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3,5-dicarboxylate