Cas no 58248-65-0 (3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxododecyl)-2-phenyl-)
58248-65-0 structure
Product Name:3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxododecyl)-2-phenyl-
CAS No:58248-65-0
MF:C22H32N2O2
MW:356.501686096191
CID:342734
PubChem ID:3816687
Update Time:2025-04-19
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxododecyl)-2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxododecyl)-2-phenyl-
- 2,4-Dihydro-5-methyl-4-(1-oxododecyl)-2-phenyl-3H-pyrazol-3-one
- 4-dodecanoyl-5-methyl-2-phenyl-4H-pyrazol-3-one
- 4-Dodecanoyl-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
- DTXSID50396829
- 58248-65-0
- AKOS024354394
-
- Inchi: 1S/C22H32N2O2/c1-3-4-5-6-7-8-9-10-14-17-20(25)21-18(2)23-24(22(21)26)19-15-12-11-13-16-19/h11-13,15-16,21H,3-10,14,17H2,1-2H3
- InChI Key: ZGLNYPQAUHQFES-UHFFFAOYSA-N
- SMILES: O=C(C1C(N(C2C=CC=CC=2)N=C1C)=O)CCCCCCCCCCC
Computed Properties
- Exact Mass: 356.24656
- Monoisotopic Mass: 356.246378268g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 26
- Rotatable Bond Count: 12
- Complexity: 481
- 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: 6.4
- Topological Polar Surface Area: 49.7?2
Experimental Properties
- PSA: 49.74
3H-Pyrazol-3-one, 2,4-dihydro-5-methyl-4-(1-oxododecyl)-2-phenyl- Related Literature
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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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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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