Cas no 18199-28-5 (3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxodecyl)-2-phenyl-)
18199-28-5 structure
Product Name:3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxodecyl)-2-phenyl-
CAS No:18199-28-5
MF:C20H28N2O2
MW:328.448525428772
CID:96154
PubChem ID:15787929
Update Time:2025-04-18
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxodecyl)-2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxodecyl)-2-phenyl-
- 4-Capryl-3-methyl-1-phenyl-5(4H)-pyrazolone
- 4-decanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one
- 18199-28-5
- DTXSID60578295
- 4-Decanoyl-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
- 4-Decanoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
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- Inchi: 1S/C20H28N2O2/c1-3-4-5-6-7-8-12-15-18(23)19-16(2)21-22(20(19)24)17-13-10-9-11-14-17/h9-11,13-14,19H,3-8,12,15H2,1-2H3
- InChI Key: ZFUHYMJRSYQOTG-UHFFFAOYSA-N
- SMILES: O=C(C1C(N(C2C=CC=CC=2)N=C1C)=O)CCCCCCCCC
Computed Properties
- Exact Mass: 328.21524
- Monoisotopic Mass: 328.215078140g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 24
- Rotatable Bond Count: 10
- Complexity: 453
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.3
- Topological Polar Surface Area: 49.7?2
Experimental Properties
- PSA: 49.41
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxodecyl)-2-phenyl- Related Literature
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1. 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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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