ChemSpider 2D Image | 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol | C29H30Cl2N4O3

2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol

  • Molecular FormulaC29H30Cl2N4O3
  • Average mass553.479 Da
  • Monoisotopic mass552.169495 Da
  • ChemSpider ID24637706

More details:

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

1-(3-{4-Chlor-3-[(4-chlorphenyl)ethinyl]phenyl}-1-[3-(4-morpholinyl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-hydroxyethanon [German] [ACD/IUPAC Name]
1-(3-{4-Chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-[3-(4-morpholinyl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-hydroxyethanone [ACD/IUPAC Name]
1-(3-{4-Chloro-3-[(4-chlorophényl)éthynyl]phényl}-1-[3-(4-morpholinyl)propyl]-1,4,6,7-tétrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-hydroxyéthanone [French] [ACD/IUPAC Name]
2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol
Ethanone, 1-[3-[4-chloro-3-[2-(4-chlorophenyl)ethynyl]phenyl]-1,4,6,7-tetrahydro-1-[3-(4-morpholinyl)propyl]-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-hydroxy- [ACD/Index Name]
1-(3-(4-chloro-3-((4-chlorophenyl)ethynyl)phenyl)-1-(3-morpholinopropyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)-2-hydroxyethanone
arylalkyne pyrazole-based compound, 32

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

599 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 783.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.6±3.0 kJ/mol
Flash Point: 427.8±32.9 °C
Index of Refraction: 1.650
Molar Refractivity: 150.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 21.77
ACD/KOC (pH 5.5): 106.43
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 629.47
ACD/KOC (pH 7.4): 3077.87
Polar Surface Area: 71 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 52.3±7.0 dyne/cm
Molar Volume: 412.9±7.0 cm3

Click to predict properties on the Chemicalize site


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