N-benzyl-N,1-diethyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

• ChemBase ID: 494337
• Molecular Formular: C24H34N4O
• Molecular Mass: 394.55296
• Monoisotopic Mass: 394.27326173
• SMILES: c1(c2c(n(n1)CC)CCC(C2)N(Cc1ccccc1)CC)C(=O)N1CCCCC1
• Canonical SMILES: CCN(C1CCc2c(C1)c(nn2CC)C(=O)N1CCCCC1)Cc1ccccc1
• InChI: InChI=1S/C24H34N4O/c1-3-26(18-19-11-7-5-8-12-19)20-13-14-22-21(17-20)23(25-28(22)4-2)24(29)27-15-9-6-10-16-27/h5,7-8,11-12,20H,3-4,6,9-10,13-18H2,1-2H3
• InChIKey: LEULNQXLIPNKCW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N,1-diethyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
• IUPAC Traditional name: N-benzyl-N,1-diethyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-amine
• Synonyms: N-benzyl-N,1-diethyl-3-(1-piperidinylcarbonyl)-4,5,6,7-tetrahydro-1H-indazol-5-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.52999985
• LogD (pH = 7.4): 1.8252109
• Log P: 3.9117796
• Molar Refractivity: 130.623 cm^3
• Polarizability: 45.187294 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.39
• LOG S: -4.32
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 4