CAS 1198475-42-1

1,1-Dimethylethyl 2-(4-aminobenzoyl)-1-pyrazolidinecarboxylate

Description:

1,1-Dimethylethyl 2-(4-aminobenzoyl)-1-pyrazolidinecarboxylate, identified by its CAS number 1198475-42-1, is a chemical compound that features a pyrazolidine ring, which is a five-membered heterocyclic structure containing two nitrogen atoms. This compound is characterized by the presence of a tert-butyl group (1,1-dimethylethyl) that contributes to its steric bulk, potentially influencing its reactivity and solubility. The 4-aminobenzoyl moiety indicates the presence of an amine functional group attached to a benzoyl group, which may impart specific biological activities or interactions. The carboxylate group suggests that the compound can participate in acid-base reactions and may exhibit polar characteristics, affecting its solubility in various solvents. Overall, the structural features of this compound suggest potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of both aromatic and heterocyclic components that can interact with biological targets.

Formula: C₁₅H₂₁N₃O₃

InChI: InChI=1S/C15H21N3O3/c1-15(2,3)21-14(20)18-10-4-9-17(18)13(19)11-5-7-12(16)8-6-11/h5-8H,4,9-10,16H2,1-3H3

InChI key: InChIKey=HKEXFOTVSFZFGL-UHFFFAOYSA-N

SMILES: C(OC(C)(C)C)(=O)N1N(C(=O)C2=CC=C(N)C=C2)CCC1

Synonyms:

• 1,1-Dimethylethyl 2-(4-aminobenzoyl)-1-pyrazolidinecarboxylate
• 1-Pyrazolidinecarboxylic acid, 2-(4-aminobenzoyl)-, 1,1-dimethylethyl ester