Cas no 151588-04-4 (3-methyl-4-nitro-1H-Pyrazol-1-amine)
151588-04-4 structure
Product Name:3-methyl-4-nitro-1H-Pyrazol-1-amine
CAS No:151588-04-4
MF:C4H6N4O2
MW:142.11603975296
CID:99497
PubChem ID:14952771
Update Time:2025-04-18
3-methyl-4-nitro-1H-Pyrazol-1-amine Chemical and Physical Properties
Names and Identifiers
-
- 3-methyl-4-nitro-1H-Pyrazol-1-amine
- 1H-Pyrazol-1-amine,3-methyl-4-nitro-
- 1H-Pyrazol-1-amine,3-methyl-4-nitro-(9CI)
- 151588-04-4
- 3-methyl-4-nitropyrazol-1-amine
- FT-0768626
-
- Inchi： 1S/C4H6N4O2/c1-3-4(8(9)10)2-7(5)6-3/h2H,5H2,1H3
- InChI Key： BNJBZMQXFRGXCD-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CN(N)N=C1C)=O
Computed Properties
- Exact Mass: 142.04900
- Monoisotopic Mass: 142.04907545g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 145
- 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: 0.2
- Topological Polar Surface Area: 89.7?2
Experimental Properties
- PSA: 89.66000
- LogP: 0.91790
3-methyl-4-nitro-1H-Pyrazol-1-amine Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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