832741-04-5 ((5-methyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo1,5-apyrimidine-3-carbohydrazide)

CAS号:
832741-04-5
英文名称:
5-methyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo1,5-apyrimidine-3-carbohydrazide
分子式:
C9H12F3N5O
分子量:
263.21969127655

5-methyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo1,5-apyrimidine-3-carbohydrazide(832741-04-5)名称与标识符

名称

英文别名:
<br>5-Methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3- carbohydrazide;5-methyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo1,5-apyrimidine-3-carbohydrazide;BBL039299;5-METHYL-7-(TRIFLUOROMETHYL)-4H,5H,6H,7H-PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBOHYDRAZIDE;STK313294;EN300-228869;CS-0283118;4,5,6,7-Tetrahydro-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid hydrazide;DTXSID501113687;832741-04-5;AKOS000305701;5-Methyl-7-trifluoromethyl-4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid hydrazide;5-methyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbohydrazide;

标识符

MDL:
MFCD03423269
InChIKey:
UMVGQLFJWZONGT-UHFFFAOYSA-N
Inchi:
1S/C9H12F3N5O/c1-4-2-6(9(10,11)12)17-7(15-4)5(3-14-17)8(18)16-13/h3-4,6,15H,2,13H2,1H3,(H,16,18)
SMILES:
FC(C1CC(C)NC2=C(C(NN)=O)C=NN12)(F)F

5-methyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo1,5-apyrimidine-3-carbohydrazide(832741-04-5)物化性质

计算特性

  • 精确分子量 : 263.09939451Da
  • 氢键供体数量 : 3
  • 氢键受体数量 : 6
  • 可旋转化学键数量 : 3
  • 同位素质量 : 263.09939451Da
  • 重原子数量 : 18
  • 复杂度 : 337
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 2
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 0.7
  • 拓扑分子极性表面积 : 85Ų

5-methyl-7-(trifluoromethyl)-4H,5H,6H,7H-pyrazolo1,5-apyrimidine-3-carbohydrazide(832741-04-5)相关文献