CAS 1076224-02-6

1,1-Dimethylethyl 4-(4-ethynyl-1H-pyrazol-1-yl)-1-piperidinecarboxylate

Description:

1,1-Dimethylethyl 4-(4-ethynyl-1H-pyrazol-1-yl)-1-piperidinecarboxylate, identified by its CAS number 1076224-02-6, is a chemical compound characterized by its complex structure, which includes a piperidine ring and a pyrazole moiety. This compound features a tert-butyl group (1,1-dimethylethyl) that contributes to its steric bulk, potentially influencing its reactivity and solubility. The presence of the ethynyl group suggests that it may participate in various chemical reactions, including coupling reactions, due to the triple bond. The pyrazole ring is known for its biological activity, often serving as a pharmacophore in medicinal chemistry. The ester functional group in the molecule indicates that it may undergo hydrolysis, making it relevant in studies of drug metabolism. Overall, this compound's unique structural features suggest potential applications in pharmaceuticals, particularly in the development of novel therapeutic agents. Its specific properties, such as solubility, melting point, and reactivity, would require empirical investigation for precise characterization.

Formula: C₁₅H₂₁N₃O₂

InChI: InChI=1S/C15H21N3O2/c1-5-12-10-16-18(11-12)13-6-8-17(9-7-13)14(19)20-15(2,3)4/h1,10-11,13H,6-9H2,2-4H3

InChI key: InChIKey=PMUVUSISNQCUDP-UHFFFAOYSA-N

SMILES: C(#C)C1=CN(N=C1)C2CCN(C(OC(C)(C)C)=O)CC2

Synonyms:

• 1,1-Dimethylethyl 4-(4-ethynyl-1H-pyrazol-1-yl)-1-piperidinecarboxylate
• 1-Piperidinecarboxylic acid, 4-(4-ethynyl-1H-pyrazol-1-yl)-, 1,1-dimethylethyl ester