N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

• ChemBase ID: 437486
• Molecular Formular: C20H23N5O
• Molecular Mass: 349.42952
• Monoisotopic Mass: 349.19026038
• SMILES: c1(nn2c(c1)nccc2)C(=O)NCCN1CCC(CC1)c1ccccc1
• Canonical SMILES: O=C(c1nn2c(c1)nccc2)NCCN1CCC(CC1)c1ccccc1
• InChI: InChI=1S/C20H23N5O/c26-20(18-15-19-21-9-4-11-25(19)23-18)22-10-14-24-12-7-17(8-13-24)16-5-2-1-3-6-16/h1-6,9,11,15,17H,7-8,10,12-14H2,(H,22,26)
• InChIKey: DLWRCLRLNJAXQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
• Synonyms: N-[2-(4-phenylpiperidin-1-yl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.905826
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.011287936
• LogD (pH = 7.4): 1.745892
• Log P: 2.402973
• Molar Refractivity: 112.1814 cm^3
• Polarizability: 38.43395 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.91
• LOG S: -2.52
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 5