Cas no 1224888-17-8 (1H-Pyrazole-3-carboxylic acid, 5-amino-1-ethyl-, ethyl ester)
1224888-17-8 structure
Product Name:1H-Pyrazole-3-carboxylic acid, 5-amino-1-ethyl-, ethyl ester
CAS No:1224888-17-8
MF:C8H13N3O2
MW:183.207721471786
CID:2116295
Update Time:2023-08-04
1H-Pyrazole-3-carboxylic acid, 5-amino-1-ethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- ethyl 5-amino-1-ethyl-1H-pyrazole-3-carboxylate
- 1H-Pyrazole-3-carboxylicacid,5-amino-1-ethyl-,ethylester
- 1H-Pyrazole-3-carboxylic acid, 5-amino-1-ethyl-, ethyl ester
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- Inchi： 1S/C8H13N3O2/c1-3-11-7(9)5-6(10-11)8(12)13-4-2/h5H,3-4,9H2,1-2H3
- InChI Key： XXFKTAXKEGTMHD-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=C(N)N(CC)N=1)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 186
- Topological Polar Surface Area: 70.1
1H-Pyrazole-3-carboxylic acid, 5-amino-1-ethyl-, ethyl ester Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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