Cas no 358641-22-2 (1H-Pyrazole-5-carboxylicacid, 3-ethyl-1-methyl-4-nitro-, ethyl ester)
358641-22-2 structure
Product Name:1H-Pyrazole-5-carboxylicacid, 3-ethyl-1-methyl-4-nitro-, ethyl ester
CAS No:358641-22-2
MF:C9H13N3O4
MW:227.217221975327
CID:303220
PubChem ID:24728975
Update Time:2025-04-19
1H-Pyrazole-5-carboxylicacid, 3-ethyl-1-methyl-4-nitro-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-5-carboxylicacid, 3-ethyl-1-methyl-4-nitro-, ethyl ester
- ethyl 5-ethyl-2-methyl-4-nitropyrazole-3-carboxylate
- 3-ETHYL-1-METHYL-4-NITRO-1H-PYRAZOLE-5-CARBOXYLIC ACID ETHYL ESTER
- 5-ethyl-2-methyl-4-nitro-3-pyrazolecarboxylic acid ethyl ester
- ethyl 5-ethyl-2-methyl-4-nitro-pyrazole-3-carboxylate
- Ethyl 3-ethyl-1-methyl-4-nitro-1H-pyrazole-5-carboxylate
- 358641-22-2
- A823010
- 3-ETHYL-1-METHYL-4-NITRO-1H-PYRAZOLE-5-CARBOXYLICACIDETHYLESTER
- DTXSID40646603
-
- Inchi： 1S/C9H13N3O4/c1-4-6-7(12(14)15)8(11(3)10-6)9(13)16-5-2/h4-5H2,1-3H3
- InChI Key： WKGWNPOCQIDNSR-UHFFFAOYSA-N
- SMILES： O(CC)C(C1=C(C(CC)=NN1C)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 227.09100
- Monoisotopic Mass: 227.091
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 278
- 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
- Topological Polar Surface Area: 89.9A^2
- XLogP3: 1.4
Experimental Properties
- PSA: 89.94000
- LogP: 1.59060
1H-Pyrazole-5-carboxylicacid, 3-ethyl-1-methyl-4-nitro-, ethyl ester Related Literature
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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