N-benzyl-5-[(3-methoxypropyl)amino]-N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

• ChemBase ID: 566529
• Molecular Formular: C21H30N4O2
• Molecular Mass: 370.4885
• Monoisotopic Mass: 370.23687622
• SMILES: c1(c2c(n(n1)C)CCC(C2)NCCCOC)C(=O)N(Cc1ccccc1)C
• Canonical SMILES: COCCCNC1CCc2c(C1)c(nn2C)C(=O)N(Cc1ccccc1)C
• InChI: InChI=1S/C21H30N4O2/c1-24(15-16-8-5-4-6-9-16)21(26)20-18-14-17(22-12-7-13-27-3)10-11-19(18)25(2)23-20/h4-6,8-9,17,22H,7,10-15H2,1-3H3
• InChIKey: CKBJKOVCPHHTBF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-5-[(3-methoxypropyl)amino]-N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• IUPAC Traditional name: N-benzyl-5-[(3-methoxypropyl)amino]-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
• Synonyms: N-benzyl-5-[(3-methoxypropyl)amino]-N,1-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2194735
• LogD (pH = 7.4): -0.28234985
• Log P: 1.977734
• Molar Refractivity: 119.598 cm^3
• Polarizability: 41.078663 Å^3
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.27
• LOG S: -3.83
• Polar Surface Area: 59.39 Å^2
• Rotatable Bonds: 7