Cas no 17028-79-4 (3-Pyrazolidinone, 5-methyl-2-(4-methylphenyl)-)
17028-79-4 structure
Product Name:3-Pyrazolidinone, 5-methyl-2-(4-methylphenyl)-
CAS No:17028-79-4
MF:C11H14N2O
MW:190.241662502289
CID:1352595
PubChem ID:20362028
Update Time:2025-04-20
3-Pyrazolidinone, 5-methyl-2-(4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyrazolidinone, 5-methyl-2-(4-methylphenyl)-
- 5-methyl-2-(4-methylphenyl)pyrazolidin-3-one
- DTXSID40606060
- 17028-79-4
- 5-methyl-2-(p-tolyl)pyrazolidin-3-one
- DXDAGBMONVPBPP-UHFFFAOYSA-N
- 3-methyl-1-(4'-methylphenyl)-5-pyrazolidone
-
- Inchi： 1S/C11H14N2O/c1-8-3-5-10(6-4-8)13-11(14)7-9(2)12-13/h3-6,9,12H,7H2,1-2H3
- InChI Key： DXDAGBMONVPBPP-UHFFFAOYSA-N
- SMILES： O=C1CC(C)NN1C1C=CC(C)=CC=1
Computed Properties
- Exact Mass: 190.11072
- Monoisotopic Mass: 190.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 221
- 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: 1.6
- Topological Polar Surface Area: 32.3?2
Experimental Properties
- PSA: 32.34
3-Pyrazolidinone, 5-methyl-2-(4-methylphenyl)- Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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