Cas no 187343-52-8 (1H-Pyrazole, 3-(2-chlorophenyl)-5-phenyl-)
187343-52-8 structure
Product Name:1H-Pyrazole, 3-(2-chlorophenyl)-5-phenyl-
CAS No:187343-52-8
MF:C15H11ClN2
MW:254.714242219925
CID:1379426
PubChem ID:11550606
Update Time:2025-04-20
1H-Pyrazole, 3-(2-chlorophenyl)-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 3-(2-chlorophenyl)-5-phenyl-
- 5-(2-chlorophenyl)-3-phenyl-1H-pyrazole
- DTXSID50468434
- 187343-52-8
- 3-(2-chlorophenyl)-5-phenylpyrazol
- 3-(2-Chlorophenyl)-5-phenyl-1H-pyrazole
- SCHEMBL8888588
- DB-127921
-
- Inchi： 1S/C15H11ClN2/c16-13-9-5-4-8-12(13)15-10-14(17-18-15)11-6-2-1-3-7-11/h1-10H,(H,17,18)
- InChI Key： WRLPEZCNBRAFCB-UHFFFAOYSA-N
- SMILES： ClC1C=CC=CC=1C1=CC(C2C=CC=CC=2)=NN1
Computed Properties
- Exact Mass: 254.06123
- Monoisotopic Mass: 254.0610761g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 265
- 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: 4.2
- Topological Polar Surface Area: 28.7?2
Experimental Properties
- PSA: 28.68
1H-Pyrazole, 3-(2-chlorophenyl)-5-phenyl- Related Literature
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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