Cas no 185451-43-8 (1H-Pyrazole-3-carboxamide,2,5-dihydro-N,1-dimethyl-5-oxo-)
185451-43-8 structure
Product Name:1H-Pyrazole-3-carboxamide,2,5-dihydro-N,1-dimethyl-5-oxo-
CAS No:185451-43-8
MF:C6H9N3O2
MW:155.154560804367
CID:114569
PubChem ID:15374774
Update Time:2025-04-18
1H-Pyrazole-3-carboxamide,2,5-dihydro-N,1-dimethyl-5-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-3-carboxamide,2,5-dihydro-N,1-dimethyl-5-oxo-
- 1H-Pyrazole-3-carboxamide,2,5-dihydro-N,1-dimethyl-5-oxo-(9CI)
- N,1-Dimethyl-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxamide
- 5-Hydroxy-N,1-dimethyl-1H-pyrazole-3-carboxamide
- N,2-dimethyl-3-oxo-1H-pyrazole-5-carboxamide
- 185451-43-8
- 1H-Pyrazole-3-carboxamide, 5-hydroxy-N,1-dimethyl-
- 51986-06-2
-
- Inchi： 1S/C6H9N3O2/c1-7-6(11)4-3-5(10)9(2)8-4/h3,8H,1-2H3,(H,7,11)
- InChI Key： SSEAGKJOZKWNTL-UHFFFAOYSA-N
- SMILES： O=C1C=C(C(NC)=O)NN1C
Computed Properties
- Exact Mass: 155.06957
- Monoisotopic Mass: 155.069476538g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 234
- 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: 61.4?2
Experimental Properties
- PSA: 61.44
1H-Pyrazole-3-carboxamide,2,5-dihydro-N,1-dimethyl-5-oxo- Related Literature
-
Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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