Cas no 63514-87-4 (diethyl 1,5-diphenyl-1H-pyrazole-3,4-dicarboxylate)
63514-87-4 structure
Product Name:diethyl 1,5-diphenyl-1H-pyrazole-3,4-dicarboxylate
CAS No:63514-87-4
MF:C21H20N2O4
MW:364.394505500793
CID:1659371
PubChem ID:182372
Update Time:2025-04-21
diethyl 1,5-diphenyl-1H-pyrazole-3,4-dicarboxylate Chemical and Physical Properties
Names and Identifiers
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- diethyl 1,5-diphenyl-1H-pyrazole-3,4-dicarboxylate
- Diethyl 1,5-di(phenyl)pyrazole-3,4-dicarboxylate
- DTXSID60212925
- 63514-87-4
-
- Inchi： 1S/C21H20N2O4/c1-3-26-20(24)17-18(21(25)27-4-2)22-23(16-13-9-6-10-14-16)19(17)15-11-7-5-8-12-15/h5-14H,3-4H2,1-2H3
- InChI Key： BZMKWQAZQJHTJE-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C(C(=O)OCC)=NN(C2C=CC=CC=2)C=1C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 364.1424
- Monoisotopic Mass: 364.14230712g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 27
- Rotatable Bond Count: 8
- Complexity: 500
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 70.4?2
Experimental Properties
- PSA: 70.42
diethyl 1,5-diphenyl-1H-pyrazole-3,4-dicarboxylate Related Literature
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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