Cas no 26308-58-7 (1H-Pyrazole-5-carboxamide, 1-ethyl-3-methyl-4-nitro-)
26308-58-7 structure
Product Name:1H-Pyrazole-5-carboxamide, 1-ethyl-3-methyl-4-nitro-
CAS No:26308-58-7
MF:C7H10N4O3
MW:198.179300785065
CID:1430355
PubChem ID:1214839
Update Time:2025-04-20
1H-Pyrazole-5-carboxamide, 1-ethyl-3-methyl-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-5-carboxamide, 1-ethyl-3-methyl-4-nitro-
- 2-ethyl-5-methyl-4-nitropyrazole-3-carboxamide
- DB-250408
- FKHAHNSKRYEMMY-UHFFFAOYSA-N
- SCHEMBL10733902
- 1-ethyl-3-methyl-4-nitropyrazole-5-carboxamide
- 26308-58-7
- DTXSID50361052
- 1-ethyl-3-methyl-4-nitro-1H-pyrazole-5-carboxamide
-
- Inchi： 1S/C7H10N4O3/c1-3-10-6(7(8)12)5(11(13)14)4(2)9-10/h3H2,1-2H3,(H2,8,12)
- InChI Key： FKHAHNSKRYEMMY-UHFFFAOYSA-N
- SMILES： O=C(C1=C(C(C)=NN1CC)[N+](=O)[O-])N
Computed Properties
- Exact Mass: 198.0754
- Monoisotopic Mass: 198.07529019g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 252
- 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
- Topological Polar Surface Area: 107?2
Experimental Properties
- PSA: 104.05
1H-Pyrazole-5-carboxamide, 1-ethyl-3-methyl-4-nitro- Related Literature
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Xiuxia Yang,Lei Zhao,Zhichao Liu,Shuyu Tian,Hao Zhang,Xuhui Xu,Jianbei Qiu,Xue Yu Phys. Chem. Chem. Phys., 2020,22, 16294-16300
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
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Mei-Yu Xu,Ya-Ting Wang,Qing-Ling Ni,Zi-Hao Zhang,Guang-Ming Liang,Liu-Cheng Gui Dalton Trans., 2016,45, 4993-4997
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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