75471-48-6 ((1H-Pyrazole-4-carboxamide,N-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1-phenyl-)

CAS号:
75471-48-6
英文名称:
1H-Pyrazole-4-carboxamide,N-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1-phenyl-
分子式:
C17H16N4O2
分子量:
308.334543228149

1H-Pyrazole-4-carboxamide,N-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1-phenyl-(75471-48-6)名称与标识符

名称

英文别名:
1H-Pyrazole-4-carboxamide,N-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1-phenyl-;1H-Pyrazole-4-carboxamide, N-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1-phenyl-;

标识符

InChIKey:
NUQUKFRCKUOVIU-UHFFFAOYSA-N
Inchi:
1S/C17H16N4O2/c1-11-15(16(22)19-13-9-7-12(18)8-10-13)17(23)21(20-11)14-5-3-2-4-6-14/h2-10,15H,18H2,1H3,(H,19,22)
SMILES:
N1(C2=CC=CC=C2)C(=O)C(C(NC2=CC=C(N)C=C2)=O)C(C)=N1

1H-Pyrazole-4-carboxamide,N-(4-aminophenyl)-4,5-dihydro-3-methyl-5-oxo-1-phenyl-(75471-48-6)物化性质

实验特性

  • PSA : 87.79
  • 沸点 : 540.7±40.0 °C(Predicted)
  • 酸度系数(pKa) : 15.78±0.70(Predicted)
  • 密度 : 1.33±0.1 g/cm3(Predicted)

计算特性

  • 精确分子量 : 308.12748