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

• ChemBase ID: 615755
• Molecular Formular: C19H32N4O
• Molecular Mass: 332.48358
• Monoisotopic Mass: 332.25761166
• SMILES: c1(c2c(n(n1)CC(C)C)CCC(C2)NC1CCCC1)C(=O)N(C)C
• Canonical SMILES: CC(Cn1nc(c2c1CCC(C2)NC1CCCC1)C(=O)N(C)C)C
• InChI: InChI=1S/C19H32N4O/c1-13(2)12-23-17-10-9-15(20-14-7-5-6-8-14)11-16(17)18(21-23)19(24)22(3)4/h13-15,20H,5-12H2,1-4H3
• InChIKey: DBYGUTHASKOXLM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(cyclopentylamino)-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• IUPAC Traditional name: 5-(cyclopentylamino)-N,N-dimethyl-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
• Synonyms: 5-(cyclopentylamino)-1-isobutyl-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): -0.38016608
• LogD (pH = 7.4): 0.3155983
• Log P: 2.8392816
• Molar Refractivity: 109.2339 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: 1.57
• LOG S: -4.04
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4