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

• ChemBase ID: 766434
• Molecular Formular: C20H30N6O
• Molecular Mass: 370.4918
• Monoisotopic Mass: 370.24810961
• SMILES: c1(n(ncc1)C1CCN(CC1)CCCn1nccc1)NC(=O)C1CCCC1
• Canonical SMILES: O=C(C1CCCC1)Nc1ccnn1C1CCN(CC1)CCCn1cccn1
• InChI: InChI=1S/C20H30N6O/c27-20(17-5-1-2-6-17)23-19-7-11-22-26(19)18-8-15-24(16-9-18)12-4-14-25-13-3-10-21-25/h3,7,10-11,13,17-18H,1-2,4-6,8-9,12,14-16H2,(H,23,27)
• InChIKey: LCFPWCLHGGOMOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.441453
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.5468047
• LogD (pH = 7.4): -0.017444652
• Log P: 1.7133876
• Molar Refractivity: 128.9878 cm^3
• Polarizability: 40.432198 Å^3
• Polar Surface Area: 67.98 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.54
• LOG S: -5.0
• Polar Surface Area: 67.98 Å^2
• Rotatable Bonds: 7