ChemSpider 2D Image | 3-Amino-5-{3-[methyl(4-quinazolinyl)amino]propyl}-1H-pyrazole-4-carbonitrile | C16H17N7

3-Amino-5-{3-[methyl(4-quinazolinyl)amino]propyl}-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC16H17N7
  • Average mass307.353 Da
  • Monoisotopic mass307.154541 Da
  • ChemSpider ID23997200

More details:

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

1H-Pyrazole-4-carbonitrile, 3-amino-5-[3-(methyl-4-quinazolinylamino)propyl]- [ACD/Index Name]
3-Amino-5-{3-[4-chinazolinyl(methyl)amino]propyl}-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
3-Amino-5-{3-[methyl(4-quinazolinyl)amino]propyl}-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
3-Amino-5-{3-[méthyl(4-quinazolinyl)amino]propyl}-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]
3-AMINO-5-{3-[METHYL(QUINAZOLIN-4-YL)AMINO]PROPYL}-2H-PYRAZOLE-4-CARBONITRILE
5-AMINO-3-{3-[METHYL(QUINAZOLIN-4-YL)AMINO]PROPYL}-1H-PYRAZOLE-4-CARBONITRILE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 595.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.8±3.0 kJ/mol
Flash Point: 314.0±30.1 °C
Index of Refraction: 1.692
Molar Refractivity: 86.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.80
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 7.86
ACD/KOC (pH 5.5): 84.18
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.02
ACD/KOC (pH 7.4): 621.19
Polar Surface Area: 108 Å2
Polarizability: 34.5±0.5 10-24cm3
Surface Tension: 86.7±5.0 dyne/cm
Molar Volume: 226.9±5.0 cm3

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