1-(cyclohexylmethyl)-5-(ethylamino)-N,N-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

• ChemBase ID: 756799
• Molecular Formular: C19H32N4O
• Molecular Mass: 332.48358
• Monoisotopic Mass: 332.25761166
• SMILES: c1(c2c(n(n1)CC1CCCCC1)CCC(C2)NCC)C(=O)N(C)C
• Canonical SMILES: CCNC1CCc2c(C1)c(nn2CC1CCCCC1)C(=O)N(C)C
• InChI: InChI=1S/C19H32N4O/c1-4-20-15-10-11-17-16(12-15)18(19(24)22(2)3)21-23(17)13-14-8-6-5-7-9-14/h14-15,20H,4-13H2,1-3H3
• InChIKey: WJPSOENOTNSISB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(cyclohexylmethyl)-5-(ethylamino)-N,N-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• IUPAC Traditional name: 1-(cyclohexylmethyl)-5-(ethylamino)-N,N-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
• Synonyms: 1-(cyclohexylmethyl)-5-(ethylamino)-N,N-dimethyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.48834762
• LogD (pH = 7.4): 0.42792243
• Log P: 2.7113678
• Molar Refractivity: 109.5701 cm^3
• Polarizability: 37.431423 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.82
• LOG S: -4.17
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 3