ChemSpider 2D Image | 1-[3-(4-Chlorophenyl)-1-methyl-1H-pyrazol-5-yl]-3-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)-3-pyrrolidinyl]urea | C24H26ClF2N5O2

1-[3-(4-Chlorophenyl)-1-methyl-1H-pyrazol-5-yl]-3-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)-3-pyrrolidinyl]urea

  • Molecular FormulaC24H26ClF2N5O2
  • Average mass489.945 Da
  • Monoisotopic mass489.174316 Da
  • ChemSpider ID129090824

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[3-(4-Chlorophenyl)-1-methyl-1H-pyrazol-5-yl]-3-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)-3-pyrrolidinyl]urea [ACD/IUPAC Name]
1-[3-(4-Chlorophényl)-1-méthyl-1H-pyrazol-5-yl]-3-[(3S,4R)-4-(3,4-difluorophényl)-1-(2-méthoxyéthyl)-3-pyrrolidinyl]urée [French] [ACD/IUPAC Name]
1-[3-(4-Chlorphenyl)-1-methyl-1H-pyrazol-5-yl]-3-[(3S,4R)-4-(3,4-difluorphenyl)-1-(2-methoxyethyl)-3-pyrrolidinyl]harnstoff [German] [ACD/IUPAC Name]
Urea, N-[3-(4-chlorophenyl)-1-methyl-1H-pyrazol-5-yl]-N'-[(3S,4R)-4-(3,4-difluorophenyl)-1-(2-methoxyethyl)-3-pyrrolidinyl]- [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: 593.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 312.7±30.1 °C
Index of Refraction: 1.625
Molar Refractivity: 126.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 1.32
ACD/BCF (pH 5.5): 1.73
ACD/KOC (pH 5.5): 11.88
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 85.18
ACD/KOC (pH 7.4): 585.73
Polar Surface Area: 71 Å2
Polarizability: 50.0±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 357.3±7.0 cm3

Click to predict properties on the Chemicalize site


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