Cas no 42046-91-3 (1-Ethenyl-5-methyl-1h-pyrazole)
42046-91-3 structure
Product Name:1-Ethenyl-5-methyl-1h-pyrazole
CAS No:42046-91-3
MF:C6H8N2
MW:108.141120910645
CID:2636730
PubChem ID:186634
Update Time:2025-04-21
1-Ethenyl-5-methyl-1h-pyrazole Chemical and Physical Properties
Names and Identifiers
-
- 1-ethenyl-5-methylpyrazole
- 1-ethenyl-5-methyl-1h-pyrazole
- 42046-91-3
- 1H-Pyrazole, 1-ethenyl-5-methyl-
- 1-vinyl-5-methylpyrazole
- DTXSID20962232
- 1-Ethenyl-5-methyl-1h-pyrazole
-
- Inchi： 1S/C6H8N2/c1-3-8-6(2)4-5-7-8/h3-5H,1H2,2H3
- InChI Key： VQSNZRKTZXIYLG-UHFFFAOYSA-N
- SMILES： N1(C=C)C(C)=CC=N1
Computed Properties
- Exact Mass: 108.068748264g/mol
- Monoisotopic Mass: 108.068748264g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 8
- Rotatable Bond Count: 1
- Complexity: 90.5
- 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: 1.2
- Topological Polar Surface Area: 17.8?2
1-Ethenyl-5-methyl-1h-pyrazole Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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