Cas no 3968-48-7 (Methanone, phenyl(1-phenyl-1H-pyrazol-4-yl)-)
3968-48-7 structure
Product Name:Methanone, phenyl(1-phenyl-1H-pyrazol-4-yl)-
CAS No:3968-48-7
MF:C16H12N2O
MW:248.27928352356
CID:2825560
PubChem ID:10729211
Update Time:2025-04-21
Methanone, phenyl(1-phenyl-1H-pyrazol-4-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-phenyl-4-benzoylpyrazole
- DTXSID20444088
- 3968-48-7
- AE-842/32538005
- Methanone, phenyl(1-phenyl-1H-pyrazol-4-yl)-
- DTXCID30394909
-
- Inchi： 1S/C16H12N2O/c19-16(13-7-3-1-4-8-13)14-11-17-18(12-14)15-9-5-2-6-10-15/h1-12H
- InChI Key： FTQPJJDARWGYLW-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=CC=1)C1C=NN(C=1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 248.094963011Da
- Monoisotopic Mass: 248.094963011Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 3
- Complexity: 306
- 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: 3.2
- Topological Polar Surface Area: 34.9?2
Methanone, phenyl(1-phenyl-1H-pyrazol-4-yl)- Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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