6632-05-9 (2,5-diphenyl-1H-pyrazol-3-one,1,2-Dihydro-2,5-diphenyl-3H-pyrazol-3-one)

快速询单

结构式：

2,5-diphenyl-1H-pyrazol-3-oneMOL文件

CAS号：

6632-05-9

中文名称：

2,5-diphenyl-1H-pyrazol-3-one

英文名称：

1,2-Dihydro-2,5-diphenyl-3H-pyrazol-3-one

分子式：

C₁₅H₁₂N₂O

分子量：

236.268583297729

2,5-diphenyl-1H-pyrazol-3-one(6632-05-9)名称与标识符

名称

中文别名：

2,5-diphenyl-1H-pyrazol-3-one;

英文别名：

2,5-diphenyl-1h-pyrazol-3-one;1,3-diphenylpyrazol-5-one;1,3-diphenyl-pyrazolin-5-one;2,5-diphenyl-1,2-dihydro-pyrazol-3-one;1,3-diphenyl-5-pyrazolone;2,5-Diphenyl-1,2-dihydro-pyrazol-3-on;2-phenyl-5-phenyl-pyrazol-3-one;1,2-Dihydro-2,5-diphenyl-3H-pyrazol-3-one;1,3-diphenylpyrazol-5-one; 1,3-diphenyl-pyrazolin-5-one; 2,5-diphenyl-1,2-dihydro-pyrazol-3-one; 1,3-diphenyl-5-pyrazolone; 2,5-Diphenyl-1,2-dihydro-pyrazol-3-on; 2-phenyl-5-phenyl-pyrazol-3-one; 1,2-Dihydro-2,5-diphenyl-3H-pyrazol-3-one;;DTXSID00984896;2,5-diphenyl-2,3-dihydro-1H-pyrazol-3-one;SR-01000222048-1;F1990-0003;114138-49-7;NSC57963;BIM-0000466.P001;2,5-Diphenyl-2H-pyrazol-3-ol;SMSF0008640;SR-01000222048;SCHEMBL23401834;BBL038145;2-phenyl-5-phenylpyrazol-3-one;NS00081640;HMS3087K06;STK350531;AKOS000309890;5E-933;2-phenyl-5-phenyl-(3H)-pyrazol-3-one;BBL040483;1T-1152;NSC-57963;CS-0321301;STK049223;G62553;XUGMZXWEBJJQID-UHFFFAOYSA-N;CHEMBL3145238;6632-05-9;1,3-diphenyl-1H-pyrazol-5-ol;DTXSID10901993;CS-0331444;CBMicro_000536;2,5-diphenyl-1,2-dihydro-3H-pyrazol-3-one;MLS002667933;MFCD01809940;CB01779;DS-003707;SNJ;NoName_1188;SMR001469381;AKOS000313098;CHEMBL1705966;SCHEMBL2085581;5-hydroxy-3-phenyl-1-(phenyl)-1h-pyrazole;

标识符

InChIKey：

XUGMZXWEBJJQID-UHFFFAOYSA-N

Inchi：

1S/C15H12N2O/c18-15-11-14(12-7-3-1-4-8-12)16-17(15)13-9-5-2-6-10-13/h1-11,16H

SMILES：

O=C1C=C(C2C=CC=CC=2)NN1C1C=CC=CC=1

2,5-diphenyl-1H-pyrazol-3-one(6632-05-9)物化性质

实验特性

LogP : 2.83260
PSA : 32.34

计算特性

精确分子量 : 236.09506
氢键供体数量 : 1
氢键受体数量 : 2
可旋转化学键数量 : 2
同位素质量 : 236.094963011g/mol
重原子数量 : 18
复杂度 : 338
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） : 3.1
拓扑分子极性表面积 : 32.3Å²

2,5-diphenyl-1H-pyrazol-3-one(6632-05-9)相关文献

1. Combined inorganic base promoted N-addition/[2,3]-sigmatropic rearrangement to construct homoallyl sulfur-containing pyrazolones
Shou-Jie Shen,Xiao-Li Du,Xiao-Li Xu,Yue-Hua Wu,Ming-gang Zhao,Jin-Yan Liang RSC Adv. 2019 9 34912
2. Pd(ii)-Catalyzed alkyne annulation through allylic isomerization: synthesis of spiro-cyclopentadiene pyrazolones
Sumi Changmai,Sabera Sultana,Bipul Sarma,Sanjib Gogoi Chem. Commun. 2021 57 6027
3. Syntheses, crystal structures and luminescent properties of four Zn(ii) coordination polymers with pyrazolone derivatives and 4,4′-bipyridine
Guan-Cheng Xu,Li Zhang,Yan-Hui Zhang,Ji-Xi Guo,Man-Qi Shi,Dian-Zeng Jia CrystEngComm 2013 15 2873
4. Reaction of 4-arylmethylene-3-phenylisoxazolones and 4-arylmethylene-1,3-diphenylpyrazolones with enamines and nucleophilic heterocycles
David C. Cook,Alexander Lawson J. Chem. Soc. Perkin Trans. 1 1974 1112
5. 359. The structure of the glutaconic acids and esters. Part VI. Derivatives of β-phenylglutaconic acid
B. S. Gidvani,G. A. R. Kon J. Chem. Soc. 1932 2443
6. Index of subjects
J. Chem. Soc. Abstr. 1894 66 B540
7. Organic chemistry
J. Chem. Soc. Abstr. 1903 84 A453
8. Organic chemistry
J. Chem. Soc. Abstr. 1904 86 A133
9. Organic chemistry
J. Chem. Soc. Abstr. 1895 68 A77
10. Organic chemistry
J. Chem. Soc. Abstr. 1894 66 A313

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