Cas no 119768-96-6 (1H-Pyrazole-1-carboxamide,5-amino-2,3-dihydro-N-methyl-3-oxo-)
119768-96-6 structure
Product Name:1H-Pyrazole-1-carboxamide,5-amino-2,3-dihydro-N-methyl-3-oxo-
CAS No:119768-96-6
MF:C5H8N4O2
MW:156.14262008667
CID:132280
PubChem ID:14198987
Update Time:2025-04-19
1H-Pyrazole-1-carboxamide,5-amino-2,3-dihydro-N-methyl-3-oxo- Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazole-1-carboxamide,5-amino-2,3-dihydro-N-methyl-3-oxo-
- 1H-Pyrazole-1-carboxamide,5-amino-2,3-dihydro-N-methyl-3-oxo-(9CI)
- 3-Amino-N-methyl-5-oxo-1H-pyrazole-2-carboxamide
- 119768-96-6
- 5-amino-N-methyl-3-oxo-2,3-dihydro-1H-pyrazole-1-carboxamide
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- Inchi： 1S/C5H8N4O2/c1-7-5(11)9-3(6)2-4(10)8-9/h2H,6H2,1H3,(H,7,11)(H,8,10)
- InChI Key： WFWTVYZKHVSPKF-UHFFFAOYSA-N
- SMILES： O=C1C=C(N)N(C(NC)=O)N1
Computed Properties
- Exact Mass: 156.06484
- Monoisotopic Mass: 156.06472551g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 235
- 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: -1
- Topological Polar Surface Area: 87.5?2
Experimental Properties
- PSA: 93.17
1H-Pyrazole-1-carboxamide,5-amino-2,3-dihydro-N-methyl-3-oxo- Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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