Cas no 155347-67-4 (Ethanone,1-(3-amino-1H-pyrazol-1-yl)-2-chloro-)
155347-67-4 structure
Product Name:Ethanone,1-(3-amino-1H-pyrazol-1-yl)-2-chloro-
CAS No:155347-67-4
MF:C5H6ClN3O
MW:159.573639392853
CID:106956
PubChem ID:45080720
Update Time:2025-04-18
Ethanone,1-(3-amino-1H-pyrazol-1-yl)-2-chloro- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(3-amino-1H-pyrazol-1-yl)-2-chloro-
- 1H-Pyrazol-3-amine, 1-(chloroacetyl)- (9CI)
- 155347-67-4
- AKOS006383414
- 1-(3-Amino-1H-pyrazol-1-yl)-2-chloroethanone
-
- Inchi： 1S/C5H6ClN3O/c6-3-5(10)9-2-1-4(7)8-9/h1-2H,3H2,(H2,7,8)
- InChI Key： AMKJNPSEINIYDW-UHFFFAOYSA-N
- SMILES： ClCC(N1C=CC(N)=N1)=O
Computed Properties
- Exact Mass: 159.02008
- Monoisotopic Mass: 159.0199395g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 141
- 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: 0.4
- Topological Polar Surface Area: 60.9?2
Experimental Properties
- PSA: 60.91
Ethanone,1-(3-amino-1H-pyrazol-1-yl)-2-chloro- Related Literature
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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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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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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