Found 62 results

Search term: MF = 'C_{22}H_{19}F_{2}N_{7}O_{2}'
ChemSpider 2D Image | 3-Anilino-1-{3-(cyanomethyl)-1-[(3,4-difluorophenyl)carbamoyl]-3-azetidinyl}-1H-pyrazole-4-carboxamide | C22H19F2N7O2

3-Anilino-1-{3-(cyanomethyl)-1-[(3,4-difluorophenyl)carbamoyl]-3-azetidinyl}-1H-pyrazole-4-carboxamide

  • Molecular FormulaC22H19F2N7O2
  • Average mass451.429 Da
  • Monoisotopic mass451.156830 Da
  • ChemSpider ID61731010

More details:

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

1H-Pyrazole-4-carboxamide, 1-[3-(cyanomethyl)-1-[[(3,4-difluorophenyl)amino]carbonyl]-3-azetidinyl]-3-(phenylamino)- [ACD/Index Name]
3-Anilino-1-{3-(cyanmethyl)-1-[(3,4-difluorphenyl)carbamoyl]-3-azetidinyl}-1H-pyrazol-4-carboxamid [German] [ACD/IUPAC Name]
3-Anilino-1-{3-(cyanomethyl)-1-[(3,4-difluorophenyl)carbamoyl]-3-azetidinyl}-1H-pyrazole-4-carboxamide [ACD/IUPAC Name]
3-Anilino-1-{3-(cyanométhyl)-1-[(3,4-difluorophényl)carbamoyl]-3-azétidinyl}-1H-pyrazole-4-carboxamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 775.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.8±3.0 kJ/mol
Flash Point: 422.6±32.9 °C
Index of Refraction: 1.684
Molar Refractivity: 116.6±0.5 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.09
ACD/KOC (pH 5.5): 416.71
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.10
ACD/KOC (pH 7.4): 416.77
Polar Surface Area: 129 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 59.3±7.0 dyne/cm
Molar Volume: 307.3±7.0 cm3

Click to predict properties on the Chemicalize site


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