ChemSpider 2D Image | 3-(4-{[(2-Chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-{1-[(3S)-3-pyrrolidinyl]-1H-pyrazol-4-yl}benzamide | C24H23ClN8O2

3-(4-{[(2-Chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-{1-[(3S)-3-pyrrolidinyl]-1H-pyrazol-4-yl}benzamide

  • Molecular FormulaC24H23ClN8O2
  • Average mass490.945 Da
  • Monoisotopic mass490.163239 Da
  • ChemSpider ID35035237

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

3-(4-{[(2-Chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-{1-[(3S)-3-pyrrolidinyl]-1H-pyrazol-4-yl}benzamide [ACD/IUPAC Name]
3-(4-{[(2-Chlorophényl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-{1-[(3S)-3-pyrrolidinyl]-1H-pyrazol-4-yl}benzamide [French] [ACD/IUPAC Name]
3-(4-{[(2-Chlorophenyl)carbamoyl]amino}-1h-Pyrazol-1-Yl)-N-{1-[(3s)-Pyrrolidin-3-Yl]-1h-Pyrazol-4-Yl}benzamide
3-(4-{[(2-Chlorphenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-{1-[(3S)-3-pyrrolidinyl]-1H-pyrazol-4-yl}benzamid [German] [ACD/IUPAC Name]
Benzamide, 3-[4-[[[(2-chlorophenyl)amino]carbonyl]amino]-1H-pyrazol-1-yl]-N-[1-[(3S)-3-pyrrolidinyl]-1H-pyrazol-4-yl]- [ACD/Index Name]
3NL

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

Density: 1.5±0.1 g/cm3
Boiling Point: 588.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.8±3.0 kJ/mol
Flash Point: 309.7±30.1 °C
Index of Refraction: 1.740
Molar Refractivity: 133.0±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.31
ACD/LogD (pH 5.5): -0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.68
Polar Surface Area: 118 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 64.5±7.0 dyne/cm
Molar Volume: 329.6±7.0 cm3

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