Cas no 25832-38-6 (1H-Pyrazole, 3,5-dimethyl-1-(2-methyl-1-oxo-2-propenyl)-)
25832-38-6 structure
Product Name:1H-Pyrazole, 3,5-dimethyl-1-(2-methyl-1-oxo-2-propenyl)-
CAS No:25832-38-6
MF:C9H12N2O
MW:164.204381942749
CID:237806
PubChem ID:21784497
Update Time:2025-04-19
1H-Pyrazole, 3,5-dimethyl-1-(2-methyl-1-oxo-2-propenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 3,5-dimethyl-1-(2-methyl-1-oxo-2-propenyl)-
- 1-(3,5-dimethylpyrazol-1-yl)-2-methylprop-2-en-1-one
- 25832-38-6
- DTXSID60618004
- 1-methacryloyl-3,5-dimethylpyrazole
- SCHEMBL17853352
- 1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-methylprop-2-en-1-one
-
- Inchi： 1S/C9H12N2O/c1-6(2)9(12)11-8(4)5-7(3)10-11/h5H,1H2,2-4H3
- InChI Key： JSNSHSLFWDABHK-UHFFFAOYSA-N
- SMILES： O=C(C(=C)C)N1C(C)=CC(C)=N1
Computed Properties
- Exact Mass: 164.094963011g/mol
- Monoisotopic Mass: 164.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 213
- 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: 1.9
- Topological Polar Surface Area: 34.9?2
1H-Pyrazole, 3,5-dimethyl-1-(2-methyl-1-oxo-2-propenyl)- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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