ChemSpider 2D Image | 1-[(3R,5S)-5-(Hydroxymethyl)-1-methyl-3-pyrrolidinyl]-3-[4-methyl-1-(3-pentanyl)-1H-pyrazol-5-yl]urea | C16H29N5O2

1-[(3R,5S)-5-(Hydroxymethyl)-1-methyl-3-pyrrolidinyl]-3-[4-methyl-1-(3-pentanyl)-1H-pyrazol-5-yl]urea

  • Molecular FormulaC16H29N5O2
  • Average mass323.434 Da
  • Monoisotopic mass323.232117 Da
  • ChemSpider ID52609117

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(3R,5S)-5-(Hydroxymethyl)-1-methyl-3-pyrrolidinyl]-3-[4-methyl-1-(3-pentanyl)-1H-pyrazol-5-yl]harnstoff [German] [ACD/IUPAC Name]
1-[(3R,5S)-5-(Hydroxymethyl)-1-methyl-3-pyrrolidinyl]-3-[4-methyl-1-(3-pentanyl)-1H-pyrazol-5-yl]urea [ACD/IUPAC Name]
1-[(3R,5S)-5-(Hydroxyméthyl)-1-méthyl-3-pyrrolidinyl]-3-[4-méthyl-1-(3-pentanyl)-1H-pyrazol-5-yl]urée [French] [ACD/IUPAC Name]
Urea, N-[1-(1-ethylpropyl)-4-methyl-1H-pyrazol-5-yl]-N'-[(3R,5S)-5-(hydroxymethyl)-1-methyl-3-pyrrolidinyl]- [ACD/Index Name]
N-[1-(1-ethylpropyl)-4-methyl-1H-pyrazol-5-yl]-N'-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]urea

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

Density: 1.2±0.1 g/cm3
Boiling Point: 456.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 229.8±28.7 °C
Index of Refraction: 1.602
Molar Refractivity: 89.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.19
ACD/LogD (pH 5.5): -1.36
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.79
Polar Surface Area: 82 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 44.5±7.0 dyne/cm
Molar Volume: 260.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement