Cas no 27412-67-5 (1-methyl-5-nitro-1H-Pyrazole 2-oxide)
27412-67-5 structure
Product Name:1-methyl-5-nitro-1H-Pyrazole 2-oxide
CAS No:27412-67-5
MF:C4H5N3O3
MW:143.100800275803
CID:1110191
PubChem ID:12344833
Update Time:2025-04-20
1-methyl-5-nitro-1H-Pyrazole 2-oxide Chemical and Physical Properties
Names and Identifiers
-
- 1-methyl-5-nitro-1H-Pyrazole 2-oxide
- 2-methyl-3-nitro-1-oxidopyrazol-1-ium
- 1-methyl-5-nitropyrazole 2-oxide
- DTXSID60492669
- 27412-67-5
- 1-Methyl-5-nitro-2-oxo-1H-2lambda~5~-pyrazole
-
- Inchi: 1S/C4H5N3O3/c1-5-4(7(9)10)2-3-6(5)8/h2-3H,1H3
- InChI Key: URTODWDHTPYMTB-UHFFFAOYSA-N
- SMILES: [O-][N+]1=CC=C([N+](=O)[O-])N1C
Computed Properties
- Exact Mass: 143.03309103g/mol
- Monoisotopic Mass: 143.03309103g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- 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: 0.6
- Topological Polar Surface Area: 76.2?2
1-methyl-5-nitro-1H-Pyrazole 2-oxide Related Literature
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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