Cas no 107430-31-9 (3H-Pyrazol-3-one, 2-(4-ethylphenyl)-2,4-dihydro-5-methyl-)
107430-31-9 structure
Product Name:3H-Pyrazol-3-one, 2-(4-ethylphenyl)-2,4-dihydro-5-methyl-
CAS No:107430-31-9
MF:C12H14N2O
MW:202.252362728119
CID:1183627
PubChem ID:608775
Update Time:2025-04-20
3H-Pyrazol-3-one, 2-(4-ethylphenyl)-2,4-dihydro-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3H-Pyrazol-3-one, 2-(4-ethylphenyl)-2,4-dihydro-5-methyl-
- 2-(4-Ethylphenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one #
- DB-120980
- SCHEMBL179128
- Pyrazol-(4H)-one, 1-(4-ethylphenyl)-3-methyl-
- 107430-31-9
- WVBMMAGKFYAKIT-UHFFFAOYSA-N
-
- Inchi： 1S/C12H14N2O/c1-3-10-4-6-11(7-5-10)14-12(15)8-9(2)13-14/h4-7H,3,8H2,1-2H3
- InChI Key： WVBMMAGKFYAKIT-UHFFFAOYSA-N
- SMILES： O=C1CC(C)=NN1C1C=CC(=CC=1)CC
Computed Properties
- Exact Mass: 202.110613074g/mol
- Monoisotopic Mass: 202.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 277
- 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: 2.1
- Topological Polar Surface Area: 32.7?2
3H-Pyrazol-3-one, 2-(4-ethylphenyl)-2,4-dihydro-5-methyl- Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
107430-31-9 (3H-Pyrazol-3-one, 2-(4-ethylphenyl)-2,4-dihydro-5-methyl-) Related Products
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