Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- COc1ccc(C2=NNC(=O)C2)cc1
- InChIKey
- QOOURZOOVQWRCB-UHFFFAOYSA-N
- 分子式
- C10H10N2O2
- 平均分子量
- 190.2 g/mol
- 单同位素质量
- 190.07422757
COMPUTED
结构计算性质
- XLogP
- 1.2
- 极性表面积
- 50.7 Ų
- 氢键供体
- 1
- 氢键受体
- 3
- 可旋转键
- 2
- 重原子
- 14
- 形式电荷
- 0
- 复杂度
- 255
ALIASES
名称与别名
1578-89-85-(4-Methoxyphenyl)-2,4-dihydro-3H-pyrazol-3-oneDTXSID90345538RefChem:300000DTXCID302966113-(4-methoxyphenyl)-1,4-dihydropyrazol-5-one2,4-Dihydro-5-(4-methoxyphenyl)-3h-pyrazol-3-one3-(4-Methoxyphenyl)-1H-pyrazol-5(4H)-one3H-Pyrazol-3-one, 2,4-dihydro-5-(4-methoxyphenyl)-3-(4-methoxyphenyl)-2-pyrazolin-5-onePyrazol-5(4H)-one, 3-(4-methoxyphenyl)-SCHEMBL5560822SBB019023STK397921AKOS002676308ST4146331CS-03339833-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-5-one5-(4-Methoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one #
REACTIONS
参与反应
uspto-grants-2007_08 · 10.6084/m9.figshare.5104873.v1 · US07262201B1
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