N,1-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

• ChemBase ID: 502263
• Molecular Formular: C15H20N4OS
• Molecular Mass: 304.4105
• Monoisotopic Mass: 304.13578228
• SMILES: c1(nn(c2c1CCCC2)C)C(=O)N(C(c1nccs1)C)C
• Canonical SMILES: CN(C(=O)c1nn(c2c1CCCC2)C)C(c1nccs1)C
• InChI: InChI=1S/C15H20N4OS/c1-10(14-16-8-9-21-14)18(2)15(20)13-11-6-4-5-7-12(11)19(3)17-13/h8-10H,4-7H2,1-3H3
• InChIKey: BNNNVZMWMNIMDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.326323
• LogD (pH = 7.4): 2.3264909
• Log P: 2.326493
• Molar Refractivity: 94.6168 cm^3
• Polarizability: 31.152365 Å^3
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.65
• LOG S: -2.83
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 3