CAS 1338717-86-4

1,1-Dimethylethyl N-[(3S)-1-(4-amino-1-methyl-1H-pyrazol-5-yl)-3-piperidinyl]carbamate

Description:

1,1-Dimethylethyl N-[(3S)-1-(4-amino-1-methyl-1H-pyrazol-5-yl)-3-piperidinyl]carbamate, identified by its CAS number 1338717-86-4, is a chemical compound characterized by its complex structure, which includes a carbamate functional group and a piperidine ring. This compound features a dimethyl group that contributes to its steric properties, influencing its reactivity and interaction with biological targets. The presence of the pyrazole moiety, particularly with an amino group, suggests potential biological activity, possibly as a pharmaceutical agent. The stereochemistry indicated by the (3S) configuration is crucial for its biological function, as it may affect binding affinity and selectivity towards specific receptors or enzymes. Additionally, the compound's solubility, stability, and overall pharmacokinetic properties would be influenced by its molecular structure. Overall, this compound exemplifies the intricate relationship between chemical structure and biological activity, making it of interest in medicinal chemistry and drug development.

Formula: C₁₄H₂₅N₅O₂

InChI: InChI=1S/C14H25N5O2/c1-14(2,3)21-13(20)17-10-6-5-7-19(9-10)12-11(15)8-16-18(12)4/h8,10H,5-7,9,15H2,1-4H3,(H,17,20)/t10-/m0/s1

InChI key: InChIKey=CMWUUIGNJOZWDT-JTQLQIEISA-N

SMILES: NC1=C(N(C)N=C1)N2C[C@@H](NC(OC(C)(C)C)=O)CCC2

Synonyms:

• Carbamic acid, N-[(3S)-1-(4-amino-1-methyl-1H-pyrazol-5-yl)-3-piperidinyl]-, 1,1-dimethylethyl ester
• (S)-tert-Butyl [1-(1-methyl-4-amino-1H-pyrazol-5-yl)piperidin-3-yl]carbamate
• 1,1-Dimethylethyl N-[(3S)-1-(4-amino-1-methyl-1H-pyrazol-5-yl)-3-piperidinyl]carbamate