CAS: 329044-14-6
名称: 5-methyl-4-[(4-propan-2-yloxyphenyl)methyl]-1,2-dihydropyrazol-3-one
SMILES:
CC1=C(C(=O)NN1)CC2=CC=C(C=C2)OC(C)C分子加工
分子式
C14H18N2O2
分子量
246.31
精确质量
246.1368
XLogP
2.39
TPSA
57.88
氢键给体数
2
氢键受体数
2
可旋转键
4
重原子数
18
环数
2
芳香环
2
饱和环
0
脂环
0
立体中心
0
未定义立体
0
形式电荷
0
杂原子数
4
共价单元
1
sp3占比
0.357
摩尔折射率
71.16
补充信息
InChIKey: MDCOBRPJDJNKOA-UHFFFAOYSA-N
同义词
329044-14-65-methyl-4-[(4-propan-2-yloxyphenyl)methyl]-1,2-dihydropyrazol-3-one4-(4-Isopropoxybenzyl)-5-methyl-1H-pyrazol-3(2H)-one5-methyl-4-{[4-(propan-2-yloxy)phenyl]methyl}-2,3-dihydro-1H-pyrazol-3-oneSCHEMBL2253214MDCOBRPJDJNKOA-UHFFFAOYSA-NDTXSID4011455141,2-dihydro-4-[(4-isopropoxy-phenyl)methyl]-5-methyl-3h-pyrazol-3-one1,2-Dihydro-4-[(4-isopropoxyphenyl)methyl]-5-methyl-3H-pyrazol-3-one4-[(4-isopropoxyphenyl)methyl]-5-methyl-1,2-dihydro-3h-pyrazol-3-one1,2-Dihydro-5-methyl-4-[[4-(1-methylethoxy)phenyl]methyl]-3H-pyrazol-3-one5-methyl-4-({4-[(1-methylethyl) oxy]phenyl}methyl)-1,2-dihydro-3H-pyrazol-3-one5-Methyl-4-({4-[(propan-2-yl)oxy]phenyl}methyl)-1,2-dihydro-3H-pyrazol-3-one
参与 12 个反应→