ChemSpider 2D Image | 1-[3-(3,5-Dimethyl-1H-pyrazol-4-yl)propyl]-3-[(5-isobutyryl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]urea | C20H31N7O2

1-[3-(3,5-Dimethyl-1H-pyrazol-4-yl)propyl]-3-[(5-isobutyryl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]urea

  • Molecular FormulaC20H31N7O2
  • Average mass401.506 Da
  • Monoisotopic mass401.253937 Da
  • ChemSpider ID58199369

More details:

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

1-[3-(3,5-Dimethyl-1H-pyrazol-4-yl)propyl]-3-[(5-isobutyryl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]harnstoff [German] [ACD/IUPAC Name]
1-[3-(3,5-Dimethyl-1H-pyrazol-4-yl)propyl]-3-[(5-isobutyryl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]urea [ACD/IUPAC Name]
1-[3-(3,5-Diméthyl-1H-pyrazol-4-yl)propyl]-3-[(5-isobutyryl-4,5,6,7-tétrahydropyrazolo[1,5-a]pyrazin-2-yl)méthyl]urée [French] [ACD/IUPAC Name]
Urea, N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N'-[[4,5,6,7-tetrahydro-5-(2-methyl-1-oxopropyl)pyrazolo[1,5-a]pyrazin-2-yl]methyl]- [ACD/Index Name]
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-N'-[(5-isobutyryl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]urea

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

Density: 1.3±0.1 g/cm3
Boiling Point: 751.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.6±3.0 kJ/mol
Flash Point: 408.4±32.9 °C
Index of Refraction: 1.650
Molar Refractivity: 111.2±0.5 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.33
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 4.87
ACD/KOC (pH 5.5): 102.95
ACD/LogD (pH 7.4): 1.30
ACD/BCF (pH 7.4): 5.74
ACD/KOC (pH 7.4): 121.37
Polar Surface Area: 108 Å2
Polarizability: 44.1±0.5 10-24cm3
Surface Tension: 49.8±7.0 dyne/cm
Molar Volume: 305.1±7.0 cm3

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