ChemSpider 2D Image | 1-[(5R)-3-{5-[(5S)-1-Acetyl-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,6-dimethyl-3-pyridinyl}-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone | C29H27Cl2N5O2

1-[(5R)-3-{5-[(5S)-1-Acetyl-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,6-dimethyl-3-pyridinyl}-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone

  • Molecular FormulaC29H27Cl2N5O2
  • Average mass548.463 Da
  • Monoisotopic mass547.154175 Da
  • ChemSpider ID26000987

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(5R)-3-{5-[(5S)-1-Acetyl-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,6-dimethyl-3-pyridinyl}-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone [ACD/IUPAC Name]
1-[(5R)-3-{5-[(5S)-1-Acétyl-5-(4-chlorophényl)-4,5-dihydro-1H-pyrazol-3-yl]-2,6-diméthyl-3-pyridinyl}-5-(4-chlorophényl)-4,5-dihydro-1H-pyrazol-1-yl]éthanone [French] [ACD/IUPAC Name]
1-[(5R)-3-{5-[(5S)-1-Acetyl-5-(4-chlorphenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,6-dimethyl-3-pyridinyl}-5-(4-chlorphenyl)-4,5-dihydro-1H-pyrazol-1-yl]ethanon [German] [ACD/IUPAC Name]
Ethanone, 1-[(5R)-3-[5-[(5S)-1-acetyl-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-2,6-dimethyl-3-pyridinyl]-5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 684.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.4±3.0 kJ/mol
Flash Point: 367.8±34.3 °C
Index of Refraction: 1.674
Molar Refractivity: 150.7±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 1.72
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 1095.67
ACD/KOC (pH 5.5): 4947.68
ACD/LogD (pH 7.4): 4.41
ACD/BCF (pH 7.4): 1316.70
ACD/KOC (pH 7.4): 5945.78
Polar Surface Area: 78 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 401.6±7.0 cm3

Click to predict properties on the Chemicalize site


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