N-(2,3-dihydro-1H-inden-2-yl)-N,5-dimethyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide

• ChemBase ID: 769451
• Molecular Formular: C19H23N3O
• Molecular Mass: 309.40542
• Monoisotopic Mass: 309.18411237
• SMILES: c1(c2c(n[nH]1)CCC(C2)C)C(=O)N(C1Cc2c(C1)cccc2)C
• Canonical SMILES: CC1CCc2c(C1)c([nH]n2)C(=O)N(C1Cc2c(C1)cccc2)C
• InChI: InChI=1S/C19H23N3O/c1-12-7-8-17-16(9-12)18(21-20-17)19(23)22(2)15-10-13-5-3-4-6-14(13)11-15/h3-6,12,15H,7-11H2,1-2H3,(H,20,21)
• InChIKey: VELVUDSUJXKSGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-2-yl)-N,5-dimethyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-2-yl)-N,5-dimethyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
• Synonyms: N-(2,3-dihydro-1H-inden-2-yl)-N,5-dimethyl-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.260673
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.2213008
• LogD (pH = 7.4): 3.2213428
• Log P: 3.2214024
• Molar Refractivity: 92.4491 cm^3
• Polarizability: 34.5242 Å^3
• Polar Surface Area: 48.99 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.83
• LOG S: -3.87
• Polar Surface Area: 48.99 Å^2
• Rotatable Bonds: 2