ChemSpider 2D Image | 5-{[4-(3-Carbamoyl-1H-pyrazol-1-yl)phenyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid | C16H14N6O4

5-{[4-(3-Carbamoyl-1H-pyrazol-1-yl)phenyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid

  • Molecular FormulaC16H14N6O4
  • Average mass354.320 Da
  • Monoisotopic mass354.107666 Da
  • ChemSpider ID21761674

More details:

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

1H-Pyrazole-4-carboxylic acid, 5-[[[4-[3-(aminocarbonyl)-1H-pyrazol-1-yl]phenyl]amino]carbonyl]-1-methyl- [ACD/Index Name]
5-{[4-(3-Carbamoyl-1H-pyrazol-1-yl)phenyl]carbamoyl}-1-methyl-1H-pyrazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-{[4-(3-Carbamoyl-1H-pyrazol-1-yl)phenyl]carbamoyl}-1-methyl-1H-pyrazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-{[4-(3-carbamoyl-1H-pyrazol-1-yl)phényl]carbamoyl}-1-méthyl-1H-pyrazole-4-carboxylique [French] [ACD/IUPAC Name]
5-[({4-[3-(aminocarbonyl)-1H-pyrazol-1-yl]phenyl}amino)carbonyl]-1-methyl-1H-pyrazole-4-carboxylic acid
5-[4-(3-Carbamoyl-pyrazol-1-yl)-phenylcarbamoyl]-1-methyl-1H-pyrazole-4-carboxylic acid
5-{[4-(3-CARBAMOYLPYRAZOL-1-YL)PHENYL]CARBAMOYL}-1-METHYLPYRAZOLE-4-CARBOXYLIC ACID
5-{N-[4-(3-carbamoylpyrazolyl)phenyl]carbamoyl}-1-methylpyrazole-4-carboxylic cid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 608.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 322.1±31.5 °C
Index of Refraction: 1.740
Molar Refractivity: 90.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.87
ACD/LogD (pH 5.5): -2.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.64
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 145 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 72.5±7.0 dyne/cm
Molar Volume: 225.3±7.0 cm3

Click to predict properties on the Chemicalize site


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