5326-65-8 (4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one,4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one)

快速询单

结构式：

4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-oneMOL文件

CAS号：

5326-65-8

中文名称：

4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one

英文名称：

4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one

分子式：

C₃₀H₃₀N₄O₂

分子量：

478.584806919098

4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one(5326-65-8)名称与标识符

名称

中文别名：

4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one;

英文别名：

4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one;STK327056;ZINC04010327;AC1MDRGG;ChemDiv1_019391;HMS642B09;MolPort-001-900-545;AKOS000361555;MCULE-9512428257;BAS 00667431;4,4'-[(4-methylphenyl)methanediyl]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one);STK327056; ZINC04010327; AC1MDRGG; ChemDiv1_019391; HMS642B09; MolPort-001-900-545; AKOS000361555; MCULE-9512428257; BAS 00667431; 4,4'-[(4-methylphenyl)methanediyl]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one);;DTXSID60385688;4-[(1,5-DIMETHYL-3-OXO-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-4-YL)(4-METHYLPHENYL)METHYL]-1,5-DIMETHYL-2-PHENYL-2,3-DIHYDRO-1H-PYRAZOL-3-ONE;SR-01000400137;5326-65-8;SR-01000400137-1;4,4'-[(4-methylphenyl)methylene]bis(1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one);

标识符

InChIKey：

UPFKOXOBAJMWHO-UHFFFAOYSA-N

Inchi：

1S/C30H30N4O2/c1-20-16-18-23(19-17-20)28(26-21(2)31(4)33(29(26)35)24-12-8-6-9-13-24)27-22(3)32(5)34(30(27)36)25-14-10-7-11-15-25/h6-19,28H,1-5H3

SMILES：

O=C1C(=C(C)N(C)N1C1C=CC=CC=1)C(C1C=CC(C)=CC=1)C1C(N(C2C=CC=CC=2)N(C)C=1C)=O

4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one(5326-65-8)物化性质

实验特性

PSA : 47.1
折射率 : 1.644
沸点 : 609.7°C at 760 mmHg
闪点 : 246.1°C
密度 : 1.228

计算特性

精确分子量 : 478.2371
氢键供体数量 : 0
氢键受体数量 : 4
可旋转化学键数量 : 5
同位素质量 : 478.237
重原子数量 : 36
复杂度 : 855
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 : 0
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） : 5.8
拓扑分子极性表面积 : 47.1Å²

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5326-65-8 (4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one,4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one)

4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one(5326-65-8)名称与标识符

名称

标识符

4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-(4-methylphenyl)methyl]-1,5-dimethyl-2-phenylpyrazol-3-one(5326-65-8)物化性质

实验特性

计算特性

目录