Cas no 4173-74-4 (3H-Pyrazol-3-one, 4-acetyl-2,4-dihydro-5-methyl-2-phenyl-)
4173-74-4 structure
Product Name:3H-Pyrazol-3-one, 4-acetyl-2,4-dihydro-5-methyl-2-phenyl-
CAS No:4173-74-4
MF:C12H12N2O2
MW:216.235882759094
CID:1512797
PubChem ID:459432
Update Time:2025-04-21
3H-Pyrazol-3-one, 4-acetyl-2,4-dihydro-5-methyl-2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3H-Pyrazol-3-one, 4-acetyl-2,4-dihydro-5-methyl-2-phenyl-
- 3-Methyl-4-acetyl-1-phenyl-1H-pyrazole-5(4H)-one
- 4-acetyl-5-methyl-2-phenyl-4H-pyrazol-3-one
- MFCD00134343
- 4173-74-4
- DTXSID90332645
- 4-Acetyl-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one
- AKOS022060437
- 4-Acetyl-3-methyl-1-phenyl-2-pyrazolin-5-one
- 4-Acetyl-3-methyl-1-phenyl-5-pyrazolone
- 4-acetyl-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
- 4-Acetyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one #
- STK378108
- LQEMQGRMLUUWAW-UHFFFAOYSA-N
- AKOS003601715
- 2-Pyrazolin-5-one, 4-acetyl-3-methyl-1-phenyl-
- 4-Acetyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
-
- Inchi： 1S/C12H12N2O2/c1-8-11(9(2)15)12(16)14(13-8)10-6-4-3-5-7-10/h3-7,11H,1-2H3
- InChI Key： LQEMQGRMLUUWAW-UHFFFAOYSA-N
- SMILES： O=C1C(C(C)=O)C(C)=NN1C1C=CC=CC=1
Computed Properties
- Exact Mass: 216.08996
- Monoisotopic Mass: 216.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 343
- 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: 1.2
- Topological Polar Surface Area: 49.7?2
Experimental Properties
- PSA: 49.74
3H-Pyrazol-3-one, 4-acetyl-2,4-dihydro-5-methyl-2-phenyl- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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