Cas no 1178206-51-3 (1-(4-Morpholinyl)-2-(4-bromo-1H-pyrazol-1-yl)ethanone)
1178206-51-3 structure
Product Name:1-(4-Morpholinyl)-2-(4-bromo-1H-pyrazol-1-yl)ethanone
CAS No:1178206-51-3
MF:C9H12BrN3O2
MW:274.11448097229
CID:1082355
PubChem ID:46942174
Update Time:2025-04-20
1-(4-Morpholinyl)-2-(4-bromo-1H-pyrazol-1-yl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(4-Morpholinyl)-2-(4-bromo-1H-pyrazol-1-yl)ethanone
- 2-(4-bromo-1H-pyrazol-1-yl)-1-morpholinoethanone
- 2-(4-bromopyrazol-1-yl)-1-morpholin-4-ylethanone
- 2-(4-Bromo-1H-pyrazol-1-yl)-1-(morpholin-4-yl)ethan-1-one
- 1178206-51-3
- A898687
- DTXSID40677538
- AKOS006039739
-
- Inchi： 1S/C9H12BrN3O2/c10-8-5-11-13(6-8)7-9(14)12-1-3-15-4-2-12/h5-6H,1-4,7H2
- InChI Key： PUTSKBKNYMTFJM-UHFFFAOYSA-N
- SMILES： BrC1C=NN(C=1)CC(N1CCOCC1)=O
Computed Properties
- Exact Mass: 273.01129g/mol
- Monoisotopic Mass: 273.01129g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 233
- 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: 0.2
- Topological Polar Surface Area: 47.4?2
Experimental Properties
- Density: 1.68±0.1 g/cm3 (20 oC 760 Torr),
- Solubility: Slightly soluble (4.1 g/l) (25 o C),
1-(4-Morpholinyl)-2-(4-bromo-1H-pyrazol-1-yl)ethanone Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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