Cas no 395654-40-7 (1H-Pyrazole-5-carboxylicacid, 3-(1,1-dimethylethyl)-1-methyl-4-nitro-, hydrazide)
395654-40-7 structure
Product Name:1H-Pyrazole-5-carboxylicacid, 3-(1,1-dimethylethyl)-1-methyl-4-nitro-, hydrazide
CAS No:395654-40-7
MF:C9H15N5O3
MW:241.247101068497
CID:299722
PubChem ID:23903636
Update Time:2025-04-19
1H-Pyrazole-5-carboxylicacid, 3-(1,1-dimethylethyl)-1-methyl-4-nitro-, hydrazide Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-5-carboxylicacid, 3-(1,1-dimethylethyl)-1-methyl-4-nitro-, hydrazide
- 1H-Pyrazole-5-carboxylicacid,3-(1,1-dimethylethyl)-1-methyl-4-nitro-,hydrazide(9CI)
- 5-tert-butyl-2-methyl-4-nitropyrazole-3-carbohydrazide
- 395654-40-7
- 3-tert-Butyl-1-methyl-4-nitro-1H-pyrazole-5-carbohydrazide
- 3-(tert-Butyl)-1-methyl-4-nitro-1H-pyrazole-5-carbohydrazide
- DTXSID60635933
- Oprea1_395592
-
- Inchi： 1S/C9H15N5O3/c1-9(2,3)7-5(14(16)17)6(8(15)11-10)13(4)12-7/h10H2,1-4H3,(H,11,15)
- InChI Key： BEWRDPRNRXORQO-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=C(C(NN)=O)N(C)N=C1C(C)(C)C)=O
Computed Properties
- Exact Mass: 241.11765
- Monoisotopic Mass: 241.11748936g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 322
- 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: 0.6
- Topological Polar Surface Area: 119?2
Experimental Properties
- PSA: 116.08
1H-Pyrazole-5-carboxylicacid, 3-(1,1-dimethylethyl)-1-methyl-4-nitro-, hydrazide Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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