N-{1-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-1H-pyrazol-5-yl}cyclopentanecarboxamide

• ChemBase ID: 415148
• Molecular Formular: C24H32N4O
• Molecular Mass: 392.53708
• Monoisotopic Mass: 392.25761166
• SMILES: c1(n(ncc1)C1CCN(C2Cc3c(CC2)cccc3)CC1)NC(=O)C1CCCC1
• Canonical SMILES: O=C(C1CCCC1)Nc1ccnn1C1CCN(CC1)C1CCc2c(C1)cccc2
• InChI: InChI=1S/C24H32N4O/c29-24(19-6-2-3-7-19)26-23-11-14-25-28(23)21-12-15-27(16-13-21)22-10-9-18-5-1-4-8-20(18)17-22/h1,4-5,8,11,14,19,21-22H,2-3,6-7,9-10,12-13,15-17H2,(H,26,29)
• InChIKey: JXKDEAJPLGPHRM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]-1H-pyrazol-5-yl}cyclopentanecarboxamide
• IUPAC Traditional name: N-{2-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]pyrazol-3-yl}cyclopentanecarboxamide
• Synonyms: N-{1-[1-(1,2,3,4-tetrahydro-2-naphthalenyl)-4-piperidinyl]-1H-pyrazol-5-yl}cyclopentanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.441476
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.61113113
• LogD (pH = 7.4): 1.9393846
• Log P: 3.9812055
• Molar Refractivity: 128.0784 cm^3
• Polarizability: 44.66062 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: 3.49
• LOG S: -6.34
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4