N,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide

• ChemBase ID: 604234
• Molecular Formular: C20H25N3O
• Molecular Mass: 323.432
• Monoisotopic Mass: 323.19976244
• SMILES: c1(C(=O)N(C2c3c(CCC2)cccc3)C)n(nc2c1CCCC2)C
• Canonical SMILES: CN(C(=O)c1n(C)nc2c1CCCC2)C1CCCc2c1cccc2
• InChI: InChI=1S/C20H25N3O/c1-22(18-13-7-9-14-8-3-4-10-15(14)18)20(24)19-16-11-5-6-12-17(16)21-23(19)2/h3-4,8,10,18H,5-7,9,11-13H2,1-2H3
• InChIKey: AMJVOUQQVFWRIV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
• IUPAC Traditional name: N,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-4,5,6,7-tetrahydroindazole-3-carboxamide
• Synonyms: N,2-dimethyl-N-(1,2,3,4-tetrahydro-1-naphthalenyl)-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.658461
• LogD (pH = 7.4): 3.6585348
• Log P: 3.6585357
• Molar Refractivity: 107.5635 cm^3
• Polarizability: 36.20754 Å^3
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.66
• LOG S: -3.83
• Polar Surface Area: 38.13 Å^2
• Rotatable Bonds: 2