Cas no 89586-93-6 (1H-Pyrazole-4-ethanol, 3,5-dimethyl-1-phenyl-)
89586-93-6 structure
Product Name:1H-Pyrazole-4-ethanol, 3,5-dimethyl-1-phenyl-
CAS No:89586-93-6
MF:C13H16N2O
MW:216.278943061829
CID:595671
PubChem ID:13223176
Update Time:2025-04-19
1H-Pyrazole-4-ethanol, 3,5-dimethyl-1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-ethanol, 3,5-dimethyl-1-phenyl-
- 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanol
- 89586-93-6
- 2-(3,5-Dimethyl-1-phenyl-1H-pyrazol-4-yl)ethan-1-ol
- DTXSID00529645
-
- Inchi： 1S/C13H16N2O/c1-10-13(8-9-16)11(2)15(14-10)12-6-4-3-5-7-12/h3-7,16H,8-9H2,1-2H3
- InChI Key： OCBPGDBMNJQQSE-UHFFFAOYSA-N
- SMILES： OCCC1C(C)=NN(C2C=CC=CC=2)C=1C
Computed Properties
- Exact Mass: 216.126263138g/mol
- Monoisotopic Mass: 216.126263138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 216
- 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: 2.3
- Topological Polar Surface Area: 38?2
1H-Pyrazole-4-ethanol, 3,5-dimethyl-1-phenyl- Related Literature
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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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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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