ChemSpider 2D Image | N'-[(E)-{3-[(6,7-Dimethoxy-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl)methyl]-4-methoxyphenyl}methylene]-3-(2-methyl-2-propanyl)-1H-pyrazole-5-carbohydrazide | C29H37N5O4

N'-[(E)-{3-[(6,7-Dimethoxy-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl)methyl]-4-methoxyphenyl}methylene]-3-(2-methyl-2-propanyl)-1H-pyrazole-5-carbohydrazide

  • Molecular FormulaC29H37N5O4
  • Average mass519.635 Da
  • Monoisotopic mass519.284546 Da
  • ChemSpider ID23009533
  • Double-bond stereo - Double-bond stereo


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Pyrazole-5-carboxylic acid, 3-(1,1-dimethylethyl)-, 2-[(1E)-[3-[(3,4-dihydro-6,7-dimethoxy-1-methyl-2(1H)-isoquinolinyl)methyl]-4-methoxyphenyl]methylene]hydrazide [ACD/Index Name]
N'-[(E)-{3-[(6,7-Dimethoxy-1-methyl-3,4-dihydro-2(1H)-isochinolinyl)methyl]-4-methoxyphenyl}methylen]-3-(2-methyl-2-propanyl)-1H-pyrazol-5-carbohydrazid [German] [ACD/IUPAC Name]
N'-[(E)-{3-[(6,7-Diméthoxy-1-méthyl-3,4-dihydro-2(1H)-isoquinoléinyl)méthyl]-4-méthoxyphényl}méthylène]-3-(2-méthyl-2-propanyl)-1H-pyrazole-5-carbohydrazide [French] [ACD/IUPAC Name]
N'-[(E)-{3-[(6,7-Dimethoxy-1-methyl-3,4-dihydro-2(1H)-isoquinolinyl)methyl]-4-methoxyphenyl}methylene]-3-(2-methyl-2-propanyl)-1H-pyrazole-5-carbohydrazide [ACD/IUPAC Name]
3-tert-butyl-N'-((1E)-{3-[(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-methoxyphenyl}methylene)-1H-pyrazole-5-carbohydrazide
3-TERT-BUTYL-N-[[3-[(6,7-DIMETHOXY-1-METHYL-3,4-DIHYDRO-1H-ISOQUINOLIN-2-YL)METHYL]-4-METHOXYPHENYL]METHYLIDENEAMINO]-1H-PYRAZOLE-5-CARBOXAMIDE

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.596
Molar Refractivity: 146.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 19.96
ACD/KOC (pH 5.5): 101.37
ACD/LogD (pH 7.4): 3.98
ACD/BCF (pH 7.4): 560.72
ACD/KOC (pH 7.4): 2847.94
Polar Surface Area: 101 Å2
Polarizability: 58.1±0.5 10-24cm3
Surface Tension: 41.7±7.0 dyne/cm
Molar Volume: 430.4±7.0 cm3

Click to predict properties on the Chemicalize site






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