ChemSpider 2D Image | [4-({4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl}imino)-2,5-cyclohexadien-1-yl]acetonitrile | C22H19N7

[4-({4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl}imino)-2,5-cyclohexadien-1-yl]acetonitrile

  • Molecular FormulaC22H19N7
  • Average mass381.433 Da
  • Monoisotopic mass381.170197 Da
  • ChemSpider ID22377303
  • Double-bond stereo - Double-bond stereo


More details:






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

[4-({4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]-2-chinazolinyl}imino)-2,5-cyclohexadien-1-yl]acetonitril [German] [ACD/IUPAC Name]
[4-({4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl}imino)-2,5-cyclohexadien-1-yl]acetonitrile [ACD/IUPAC Name]
[4-({4-[(5-Cyclopropyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl}imino)-2,5-cyclohexadién-1-yl]acétonitrile [French] [ACD/IUPAC Name]
[4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIEN-1-YL]ACETONITRILE
[4-({4-[(Z)-(5-Cyclopropyl-1,2-dihydro-3H-pyrazol-3-yliden)amino]-2-chinazolinyl}imino)-2,5-cyclohexadien-1-yl]acetonitril [German] [ACD/IUPAC Name]
[4-({4-[(Z)-(5-Cyclopropyl-1,2-dihydro-3H-pyrazol-3-ylidene)amino]-2-quinazolinyl}imino)-2,5-cyclohexadien-1-yl]acetonitrile [ACD/IUPAC Name]
[4-({4-[(Z)-(5-Cyclopropyl-1,2-dihydro-3H-pyrazol-3-ylidène)amino]-2-quinazolinyl}imino)-2,5-cyclohexadién-1-yl]acétonitrile [French] [ACD/IUPAC Name]
2,5-Cyclohexadiene-1-acetonitrile, 4-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-quinazolinyl]imino]- [ACD/Index Name]
2,5-Cyclohexadiene-1-acetonitrile, 4-[[4-[[(3Z)-5-cyclopropyl-1,2-dihydro-3H-pyrazol-3-ylidene]amino]-2-quinazolinyl]imino]- [ACD/Index Name]
2-[4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-dien-1-yl]acetonitrile

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

Density: 1.4±0.1 g/cm3
Boiling Point: 672.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 360.4±34.3 °C
Index of Refraction: 1.767
Molar Refractivity: 111.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.47
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 18.55
ACD/KOC (pH 5.5): 232.55
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 35.86
ACD/KOC (pH 7.4): 449.71
Polar Surface Area: 98 Å2
Polarizability: 44.2±0.5 10-24cm3
Surface Tension: 62.2±7.0 dyne/cm
Molar Volume: 269.0±7.0 cm3

Click to predict properties on the Chemicalize site






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