ChemSpider 2D Image | 2-Methyl-5-({2-[(2-pyrimidinylamino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl}methyl)-1H-pyrrole-3-carbonitrile | C18H20N8

2-Methyl-5-({2-[(2-pyrimidinylamino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl}methyl)-1H-pyrrole-3-carbonitrile

  • Molecular FormulaC18H20N8
  • Average mass348.405 Da
  • Monoisotopic mass348.181091 Da
  • ChemSpider ID57630549

More details:






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

1H-Pyrrole-3-carbonitrile, 5-[[6,7-dihydro-2-[(2-pyrimidinylamino)methyl]pyrazolo[1,5-a]pyrazin-5(4H)-yl]methyl]-2-methyl- [ACD/Index Name]
2-Methyl-5-({2-[(2-pyrimidinylamino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl}methyl)-1H-pyrrol-3-carbonitril [German] [ACD/IUPAC Name]
2-Methyl-5-({2-[(2-pyrimidinylamino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl}methyl)-1H-pyrrole-3-carbonitrile [ACD/IUPAC Name]
2-Méthyl-5-({2-[(2-pyrimidinylamino)méthyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl}méthyl)-1H-pyrrole-3-carbonitrile [French] [ACD/IUPAC Name]
2-methyl-5-{[2-[(pyrimidin-2-ylamino)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]methyl}-1H-pyrrole-3-carbonitrile

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 633.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.7±3.0 kJ/mol
Flash Point: 337.0±34.3 °C
Index of Refraction: 1.737
Molar Refractivity: 100.2±0.5 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.41
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.77
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 6.77
ACD/KOC (pH 7.4): 110.49
Polar Surface Area: 98 Å2
Polarizability: 39.7±0.5 10-24cm3
Surface Tension: 61.1±7.0 dyne/cm
Molar Volume: 249.3±7.0 cm3

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