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

• ChemBase ID: 379396
• Molecular Formular: C23H33N5O
• Molecular Mass: 395.54102
• Monoisotopic Mass: 395.2685107
• SMILES: c1(nn(c(c1)C)C)C(=O)N(Cc1cnccc1)CC1CCN(CC1)C1CCCC1
• Canonical SMILES: O=C(c1nn(c(c1)C)C)N(Cc1cccnc1)CC1CCN(CC1)C1CCCC1
• InChI: InChI=1S/C23H33N5O/c1-18-14-22(25-26(18)2)23(29)28(17-20-6-5-11-24-15-20)16-19-9-12-27(13-10-19)21-7-3-4-8-21/h5-6,11,14-15,19,21H,3-4,7-10,12-13,16-17H2,1-2H3
• InChIKey: VNLDAJJDRMNTLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.89341027
• LogD (pH = 7.4): 0.13183108
• Log P: 2.6334193
• Molar Refractivity: 127.7489 cm^3
• Polarizability: 44.362206 Å^3
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.08
• LOG S: -3.62
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 6