Cas no 89239-75-8 (1H-Pyrazole-5-carboxamide, 3-methyl-4-nitro-1-propyl-)
89239-75-8 structure
Product Name:1H-Pyrazole-5-carboxamide, 3-methyl-4-nitro-1-propyl-
CAS No:89239-75-8
MF:C8H12N4O3
MW:212.205881118774
CID:607302
PubChem ID:54253679
Update Time:2025-04-19
1H-Pyrazole-5-carboxamide, 3-methyl-4-nitro-1-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-5-carboxamide, 3-methyl-4-nitro-1-propyl-
- 5-methyl-4-nitro-2-propylpyrazole-3-carboxamide
- 3-Methyl-4-nitro-1-propyl-1H-pyrazole-5-carboxamide
- 3-methyl-4-nitro-1-n-propylpyrazole-5-carboxamide
- 89239-75-8
- SCHEMBL10917161
- DTXSID10710067
- QYNNDXVLIVEGSC-UHFFFAOYSA-N
-
- Inchi： 1S/C8H12N4O3/c1-3-4-11-7(8(9)13)6(12(14)15)5(2)10-11/h3-4H2,1-2H3,(H2,9,13)
- InChI Key： QYNNDXVLIVEGSC-UHFFFAOYSA-N
- SMILES： O=C(C1=C(C(C)=NN1CCC)[N+](=O)[O-])N
Computed Properties
- Exact Mass: 212.09094026g/mol
- Monoisotopic Mass: 212.09094026g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 265
- 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: 0.5
- Topological Polar Surface Area: 107?2
1H-Pyrazole-5-carboxamide, 3-methyl-4-nitro-1-propyl- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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