N-{1-[1-(9H-fluoren-2-ylmethyl)piperidin-4-yl]-1H-pyrazol-5-yl}acetamide

• ChemBase ID: 525910
• Molecular Formular: C24H26N4O
• Molecular Mass: 386.48944
• Monoisotopic Mass: 386.21066147
• SMILES: c1(n(ncc1)C1CCN(Cc2cc3c(c4c(C3)cccc4)cc2)CC1)NC(=O)C
• Canonical SMILES: CC(=O)Nc1ccnn1C1CCN(CC1)Cc1ccc2c(c1)Cc1c2cccc1
• InChI: InChI=1S/C24H26N4O/c1-17(29)26-24-8-11-25-28(24)21-9-12-27(13-10-21)16-18-6-7-23-20(14-18)15-19-4-2-3-5-22(19)23/h2-8,11,14,21H,9-10,12-13,15-16H2,1H3,(H,26,29)
• InChIKey: KOOTVWZUMVWFSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[1-(9H-fluoren-2-ylmethyl)piperidin-4-yl]-1H-pyrazol-5-yl}acetamide
• IUPAC Traditional name: N-{2-[1-(9H-fluoren-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl}acetamide
• Synonyms: N-{1-[1-(9H-fluoren-2-ylmethyl)-4-piperidinyl]-1H-pyrazol-5-yl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.613088
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.1597318
• LogD (pH = 7.4): 1.836171
• Log P: 3.24516
• Molar Refractivity: 127.9568 cm^3
• Polarizability: 45.392834 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.46
• LOG S: -5.88
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4