ChemSpider 2D Image | 1-({(2S,4S)-4-Fluoro-1-[(1-methyl-1H-pyrazol-5-yl)methyl]-2-pyrrolidinyl}methyl)-3-isopropyl-1,3-dimethylurea | C16H28FN5O

1-({(2S,4S)-4-Fluoro-1-[(1-methyl-1H-pyrazol-5-yl)methyl]-2-pyrrolidinyl}methyl)-3-isopropyl-1,3-dimethylurea

  • Molecular FormulaC16H28FN5O
  • Average mass325.425 Da
  • Monoisotopic mass325.227783 Da
  • ChemSpider ID35205389

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-({(2S,4S)-4-Fluor-1-[(1-methyl-1H-pyrazol-5-yl)methyl]-2-pyrrolidinyl}methyl)-3-isopropyl-1,3-dimethylharnstoff [German] [ACD/IUPAC Name]
1-({(2S,4S)-4-Fluoro-1-[(1-methyl-1H-pyrazol-5-yl)methyl]-2-pyrrolidinyl}methyl)-3-isopropyl-1,3-dimethylurea [ACD/IUPAC Name]
1-({(2S,4S)-4-Fluoro-1-[(1-méthyl-1H-pyrazol-5-yl)méthyl]-2-pyrrolidinyl}méthyl)-3-isopropyl-1,3-diméthylurée [French] [ACD/IUPAC Name]
Urea, N-[[(2S,4S)-4-fluoro-1-[(1-methyl-1H-pyrazol-5-yl)methyl]-2-pyrrolidinyl]methyl]-N,N'-dimethyl-N'-(1-methylethyl)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 442.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 221.2±27.3 °C
Index of Refraction: 1.563
Molar Refractivity: 89.9±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.41
ACD/LogD (pH 5.5): -0.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.83
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.63
ACD/KOC (pH 7.4): 82.95
Polar Surface Area: 45 Å2
Polarizability: 35.6±0.5 10-24cm3
Surface Tension: 37.9±7.0 dyne/cm
Molar Volume: 276.9±7.0 cm3

Click to predict properties on the Chemicalize site


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