CAS 725699-01-4

Ethyl 4,5,6,7-tetrahydro-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate

Description:

Ethyl 4,5,6,7-tetrahydro-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate, with CAS number 725699-01-4, is a synthetic organic compound characterized by its complex structure, which includes a pyrazolo-pyrimidine core. This compound features a tetrahydro configuration, indicating the presence of a saturated cyclic structure, and incorporates a carboxylate functional group, which contributes to its reactivity and solubility properties. The presence of the pentafluoroethyl group suggests significant fluorine content, which can enhance lipophilicity and influence biological activity. The ethyl ester moiety typically indicates potential for hydrolysis, leading to the release of the corresponding carboxylic acid. This compound may exhibit interesting pharmacological properties due to its unique structural features, making it a candidate for research in medicinal chemistry. Its synthesis and characterization would involve standard organic chemistry techniques, and its stability, solubility, and reactivity would be influenced by the presence of both the fluorinated group and the heterocyclic framework.

Formula: C₁₂H₁₄F₅N₃O₂

InChI: InChI=1S/C12H14F5N3O2/c1-3-22-10(21)7-5-9-18-6(2)4-8(20(9)19-7)11(13,14)12(15,16)17/h5-6,8,18H,3-4H2,1-2H3

InChI key: InChIKey=GYLSGLQQOWKZHD-UHFFFAOYSA-N

SMILES: C(C(F)(F)F)(F)(F)C1N2C(=CC(C(OCC)=O)=N2)NC(C)C1

Synonyms:

• Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-7-(pentafluoroethyl)-, ethyl ester
• Ethyl 4,5,6,7-tetrahydro-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
• Pyrazolo[1,5-a]pyrimidine-2-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-7-(1,1,2,2,2-pentafluoroethyl)-, ethyl ester