N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide

• ChemBase ID: 830120
• Molecular Formular: C24H33N5O
• Molecular Mass: 407.55172
• Monoisotopic Mass: 407.2685107
• SMILES: c1(n[nH]c2c1CCC2)C(=O)N(Cc1cnccc1)CC1CCN(CC1)C1CCCC1
• Canonical SMILES: O=C(c1n[nH]c2c1CCC2)N(Cc1cccnc1)CC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C24H33N5O/c30-24(23-21-8-3-9-22(21)26-27-23)29(17-19-5-4-12-25-15-19)16-18-10-13-28(14-11-18)20-6-1-2-7-20/h4-5,12,15,18,20H,1-3,6-11,13-14,16-17H2,(H,26,27)
• InChIKey: BZZRKZDXFYRFIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide
• IUPAC Traditional name: N-[(1-cyclopentylpiperidin-4-yl)methyl]-N-(pyridin-3-ylmethyl)-1H,4H,5H,6H-cyclopenta[c]pyrazole-3-carboxamide
• Synonyms: N-[(1-cyclopentyl-4-piperidinyl)methyl]-N-(3-pyridinylmethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.92236
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.44486842
• LogD (pH = 7.4): 0.58037317
• Log P: 3.0819612
• Molar Refractivity: 120.2959 cm^3
• Polarizability: 45.477287 Å^3
• Polar Surface Area: 65.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.48
• LOG S: -4.45
• Polar Surface Area: 65.12 Å^2
• Rotatable Bonds: 6