ChemSpider 2D Image | {4-[3-(4-Chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}[4-(dimethylamino)phenyl]methanone | C23H26ClN5O

{4-[3-(4-Chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}[4-(dimethylamino)phenyl]methanone

  • Molecular FormulaC23H26ClN5O
  • Average mass423.938 Da
  • Monoisotopic mass423.182587 Da
  • ChemSpider ID35295301

More details:

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

{4-[3-(4-Chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}[4-(dimethylamino)phenyl]methanone [ACD/IUPAC Name]
{4-[3-(4-Chlorophényl)-1H-pyrazol-5-yl]-1,4-diazépan-1-yl}[4-(diméthylamino)phényl]méthanone [French] [ACD/IUPAC Name]
{4-[3-(4-Chlorphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}[4-(dimethylamino)phenyl]methanon [German] [ACD/IUPAC Name]
Methanone, [4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]hexahydro-1H-1,4-diazepin-1-yl][4-(dimethylamino)phenyl]- [ACD/Index Name]
[4-({4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}carbonyl)phenyl]dimethylamine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 688.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 370.1±31.5 °C
Index of Refraction: 1.641
Molar Refractivity: 120.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 3.39
ACD/BCF (pH 5.5): 197.07
ACD/KOC (pH 5.5): 1313.94
ACD/LogD (pH 7.4): 3.62
ACD/BCF (pH 7.4): 332.20
ACD/KOC (pH 7.4): 2214.90
Polar Surface Area: 55 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 56.6±3.0 dyne/cm
Molar Volume: 334.3±3.0 cm3

Click to predict properties on the Chemicalize site


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