Cas no 89531-97-5 (1H-Pyrazole-3-carboxamide,1-ethyl-4,5-dihydro-)
89531-97-5 structure
Product Name:1H-Pyrazole-3-carboxamide,1-ethyl-4,5-dihydro-
CAS No:89531-97-5
MF:C6H11N3O
MW:141.171040773392
CID:711864
PubChem ID:45084147
Update Time:2024-03-01
1H-Pyrazole-3-carboxamide,1-ethyl-4,5-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-3-carboxamide,1-ethyl-4,5-dihydro-
- 2-Pyrazoline-3-carboxamide,1-ethyl-(7CI)
- 1H-Pyrazole-3-carboxamide, 1-ethyl-4,5-dihydro-
-
- Inchi： 1S/C6H11N3O/c1-2-9-4-3-5(8-9)6(7)10/h2-4H2,1H3,(H2,7,10)
- InChI Key： AUMOLDSQNDLIDQ-UHFFFAOYSA-N
- SMILES： N1(CC)CCC(C(N)=O)=N1
Computed Properties
- Exact Mass: 141.09
- Monoisotopic Mass: 141.09
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 176
- 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
- Topological Polar Surface Area: 58.7A^2
- XLogP3: -0.4
1H-Pyrazole-3-carboxamide,1-ethyl-4,5-dihydro- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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