Cas no 947-82-0 (2,4-Dihydro-4,4,5-trimethyl-2-phenyl-3H-pyrazol-3-one)
947-82-0 structure
Product Name:2,4-Dihydro-4,4,5-trimethyl-2-phenyl-3H-pyrazol-3-one
CAS No:947-82-0
MF:C12H14N2O
MW:202.252362728119
CID:860903
PubChem ID:136765
Update Time:2025-04-19
2,4-Dihydro-4,4,5-trimethyl-2-phenyl-3H-pyrazol-3-one Chemical and Physical Properties
Names and Identifiers
-
- 2,4-Dihydro-4,4,5-trimethyl-2-phenyl-3H-pyrazol-3-one
- 4,4,5-trimethyl-2-phenylpyrazol-3-one
- DTXSID20241574
- 947-82-0
- 3H-Pyrazol-3-one, 2,4-dihydro-4,4,5-trimethyl-2-phenyl-
- 4,4,5-Trimethyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one #
- SR-01000195510
- CHEMBL1709299
- MZYISAKYPPUWJG-UHFFFAOYSA-N
- HMS2164H15
- HMS3319P22
- MLS000532641
- FT-0777873
- SR-01000195510-1
- 4,4,5-Trimethyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
- SMR000137580
- SCHEMBL420793
- NCGC00245544-01
- 2-Pyrazolin-5-one, 3,4,4-trimethyl-1-phenyl-
- 3,4,4-Trimethyl-1-phenyl-1H-pyrazol-5(4H)-one
-
- Inchi： 1S/C12H14N2O/c1-9-12(2,3)11(15)14(13-9)10-7-5-4-6-8-10/h4-8H,1-3H3
- InChI Key： MZYISAKYPPUWJG-UHFFFAOYSA-N
- SMILES： O=C1C(C)(C)C(C)=NN1C1C=CC=CC=1
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: 1
- Complexity: 301
- 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: 2.2
- Topological Polar Surface Area: 32.7?2
2,4-Dihydro-4,4,5-trimethyl-2-phenyl-3H-pyrazol-3-one Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
947-82-0 (2,4-Dihydro-4,4,5-trimethyl-2-phenyl-3H-pyrazol-3-one) Related Products
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