Cas no 58954-05-5 (1H-Pyrazole, 1-(4-bromophenyl)-3,5-diphenyl-)
58954-05-5 structure
Product Name:1H-Pyrazole, 1-(4-bromophenyl)-3,5-diphenyl-
CAS No:58954-05-5
MF:C21H15BrN2
MW:375.261204004288
CID:340357
PubChem ID:4645096
Update Time:2025-04-19
1H-Pyrazole, 1-(4-bromophenyl)-3,5-diphenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 1-(4-bromophenyl)-3,5-diphenyl-
- 1-(4-bromophenyl)-3,5-diphenylpyrazole
- 1-(p-bromophenyl)-3,5-diphenylpyrazole
- 1(4-bromophenyl)-3,5-diphenyl-1H-pyrazol
- SCHEMBL2816383
- IKUIPCJIWYKWDH-UHFFFAOYSA-N
- DTXSID90405202
- 58954-05-5
-
- Inchi： 1S/C21H15BrN2/c22-18-11-13-19(14-12-18)24-21(17-9-5-2-6-10-17)15-20(23-24)16-7-3-1-4-8-16/h1-15H
- InChI Key： IKUIPCJIWYKWDH-UHFFFAOYSA-N
- SMILES： BrC1C=CC(=CC=1)N1C(C2C=CC=CC=2)=CC(C2C=CC=CC=2)=N1
Computed Properties
- Exact Mass: 374.04195
- Monoisotopic Mass: 374.04186g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 24
- Rotatable Bond Count: 3
- Complexity: 381
- 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: 5.9
- Topological Polar Surface Area: 17.8?2
Experimental Properties
- PSA: 17.82
1H-Pyrazole, 1-(4-bromophenyl)-3,5-diphenyl- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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