ChemSpider 2D Image | 1-(2-{[(3S)-3-(Methoxymethyl)-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}phenyl)-5-methyl-N,N-diphenyl-1H-pyrazole-3-carboxamide | C35H32N4O3

1-(2-{[(3S)-3-(Methoxymethyl)-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}phenyl)-5-methyl-N,N-diphenyl-1H-pyrazole-3-carboxamide

  • Molecular FormulaC35H32N4O3
  • Average mass556.654 Da
  • Monoisotopic mass556.247437 Da
  • ChemSpider ID24711900

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-(2-{[(3S)-3-(Methoxymethyl)-3,4-dihydro-2(1H)-isochinolinyl]carbonyl}phenyl)-5-methyl-N,N-diphenyl-1H-pyrazol-3-carboxamid [German] [ACD/IUPAC Name]
1-(2-{[(3S)-3-(Méthoxyméthyl)-3,4-dihydro-2(1H)-isoquinoléinyl]carbonyl}phényl)-5-méthyl-N,N-diphényl-1H-pyrazole-3-carboxamide [French] [ACD/IUPAC Name]
1-(2-{[(3S)-3-(Methoxymethyl)-3,4-dihydro-2(1H)-isoquinolinyl]carbonyl}phenyl)-5-methyl-N,N-diphenyl-1H-pyrazole-3-carboxamide [ACD/IUPAC Name]
1H-Pyrazole-3-carboxamide, 1-[2-[[(3S)-3,4-dihydro-3-(methoxymethyl)-2(1H)-isoquinolinyl]carbonyl]phenyl]-5-methyl-N,N-diphenyl- [ACD/Index Name]
CHEMBL501871

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 749.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.2±3.0 kJ/mol
Flash Point: 407.0±32.9 °C
Index of Refraction: 1.642
Molar Refractivity: 166.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 5.02
ACD/BCF (pH 5.5): 3819.87
ACD/KOC (pH 5.5): 12753.36
ACD/LogD (pH 7.4): 5.02
ACD/BCF (pH 7.4): 3819.87
ACD/KOC (pH 7.4): 12753.36
Polar Surface Area: 68 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 460.3±7.0 cm3

Click to predict properties on the Chemicalize site


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