ChemSpider 2D Image | Methyl 3-[1-(4,5-dimethyl-6-oxo-1,6-dihydro-2-pyrimidinyl)-3,5-dimethyl-1H-pyrazol-4-yl]propanoate | C15H20N4O3

Methyl 3-[1-(4,5-dimethyl-6-oxo-1,6-dihydro-2-pyrimidinyl)-3,5-dimethyl-1H-pyrazol-4-yl]propanoate

  • Molecular FormulaC15H20N4O3
  • Average mass304.344 Da
  • Monoisotopic mass304.153534 Da
  • ChemSpider ID26564957

More details:

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

1H-Pyrazole-4-propanoic acid, 1-(1,6-dihydro-4,5-dimethyl-6-oxo-2-pyrimidinyl)-3,5-dimethyl-, methyl ester [ACD/Index Name]
3-[1-(4,5-Diméthyl-6-oxo-1,6-dihydro-2-pyrimidinyl)-3,5-diméthyl-1H-pyrazol-4-yl]propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl 3-[1-(4,5-dimethyl-6-oxo-1,6-dihydro-2-pyrimidinyl)-3,5-dimethyl-1H-pyrazol-4-yl]propanoate [ACD/IUPAC Name]
Methyl-3-[1-(4,5-dimethyl-6-oxo-1,6-dihydro-2-pyrimidinyl)-3,5-dimethyl-1H-pyrazol-4-yl]propanoat [German] [ACD/IUPAC Name]
1172006-95-9 [RN]
AKOS024627430
F2135-0918
L-4264
MCULE-4128723153
methyl 3-[1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3,5-dimethyl-1H-pyrazol-4-yl]propanoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.602
    Molar Refractivity: 81.9±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.91
    ACD/LogD (pH 5.5): 1.49
    ACD/BCF (pH 5.5): 7.95
    ACD/KOC (pH 5.5): 152.19
    ACD/LogD (pH 7.4): 0.99
    ACD/BCF (pH 7.4): 2.51
    ACD/KOC (pH 7.4): 48.00
    Polar Surface Area: 86 Å2
    Polarizability: 32.5±0.5 10-24cm3
    Surface Tension: 42.7±7.0 dyne/cm
    Molar Volume: 238.7±7.0 cm3

    Click to predict properties on the Chemicalize site


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