Cas no 10496-76-1 (4-Methylene-1-pyrazoline)
4-Methylene-1-pyrazoline structure
Product Name:4-Methylene-1-pyrazoline
CAS No:10496-76-1
MF:C4H6N2
MW:82.1038403511047
CID:2657124
PubChem ID:5324719
Update Time:2024-02-27
4-Methylene-1-pyrazoline Chemical and Physical Properties
Names and Identifiers
-
- 4-Methylene-1,2-diazacyclopentene
- 4-Methylene-1-pyrazoline
- 4,5-Dihydro-4-methylene-3H-pyrazole
- 3H-Pyrazole, 4,5-dihydro-4-methylene-
- InChI=1/C4H6N2/c1-4-2-5-6-3-4/h1-3H
-
- Inchi： 1S/C4H6N2/c1-4-2-5-6-3-4/h1-3H2
- InChI Key： HEPNIHPVRLJVFS-UHFFFAOYSA-N
- SMILES： N1CC(=C)CN=1
Computed Properties
- Exact Mass: 82.053098200g/mol
- Monoisotopic Mass: 82.053098200g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 6
- Rotatable Bond Count: 0
- Complexity: 83.7
- 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: 24.7
- XLogP3: 0.4
4-Methylene-1-pyrazoline Related Literature
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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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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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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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