Cas no 37687-16-4 (4-Benzoylpyrazole)
4-Benzoylpyrazole structure
Product Name:4-Benzoylpyrazole
CAS No:37687-16-4
MF:C10H8N2O
MW:172.18332195282
CID:2824666
PubChem ID:13948097
Update Time:2025-04-21
4-Benzoylpyrazole Chemical and Physical Properties
Names and Identifiers
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- AE-420/30070006
- MB02168
- 37687-16-4
- Q27118075
- PHENYL(PYRAZOL-4-YL)METHANONE
- SCHEMBL434576
- 4-benzoylpyrazole
- phenyl pyrazol-4-yl ketone
- CHEBI:38980
- 4-Benzoylpyrazole
-
- Inchi： 1S/C10H8N2O/c13-10(9-6-11-12-7-9)8-4-2-1-3-5-8/h1-7H,(H,11,12)
- InChI Key： NPRXQXFTKCBAAY-UHFFFAOYSA-N
- SMILES： O=C(C1C=NNC=1)C1C=CC=CC=1
Computed Properties
- Exact Mass: 172.063662883Da
- Monoisotopic Mass: 172.063662883Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 187
- 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: 1.6
- Topological Polar Surface Area: 45.8?2
4-Benzoylpyrazole Related Literature
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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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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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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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