Cas no 792969-86-9 (1H-Pyrazole-5-carboxamide,3-methyl-1-(1-methylethyl)-4-nitro-)
792969-86-9 structure
Product Name:1H-Pyrazole-5-carboxamide,3-methyl-1-(1-methylethyl)-4-nitro-
CAS No:792969-86-9
MF:C8H12N4O3
MW:212.205881118774
CID:556143
PubChem ID:45097303
Update Time:2025-04-19
1H-Pyrazole-5-carboxamide,3-methyl-1-(1-methylethyl)-4-nitro- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-5-carboxamide,3-methyl-1-(1-methylethyl)-4-nitro-
- 1H-Pyrazole-5-carboxamide,3-methyl-1-(1-methylethyl)-4-nitro-(9CI)
- 792969-86-9
- 1-Isopropyl-3-methyl-4-nitro-1H-pyrazole-5-carboxamide
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- Inchi： 1S/C8H12N4O3/c1-4(2)11-7(8(9)13)6(12(14)15)5(3)10-11/h4H,1-3H3,(H2,9,13)
- InChI Key： CRYTUJOOZZVOTO-UHFFFAOYSA-N
- SMILES： O=C(C1=C(C(C)=NN1C(C)C)[N+](=O)[O-])N
Computed Properties
- Exact Mass: 212.091
- Monoisotopic Mass: 212.091
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 276
- 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: 107A^2
- XLogP3: 0.4
1H-Pyrazole-5-carboxamide,3-methyl-1-(1-methylethyl)-4-nitro- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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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
792969-86-9 (1H-Pyrazole-5-carboxamide,3-methyl-1-(1-methylethyl)-4-nitro-) Related Products
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