Cas no 20147-63-1 (1H-Pyrazole, 3-(4-nitrophenyl)-1-phenyl-)
20147-63-1 structure
Product Name:1H-Pyrazole, 3-(4-nitrophenyl)-1-phenyl-
CAS No:20147-63-1
MF:C15H11N3O2
MW:265.266742944717
CID:1392106
PubChem ID:12957613
Update Time:2025-04-20
1H-Pyrazole, 3-(4-nitrophenyl)-1-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 3-(4-nitrophenyl)-1-phenyl-
- 3-(4-nitrophenyl)-1-phenylpyrazole
- DTXSID30513971
- 3-(4-Nitrophenyl)-1-phenyl-1H-pyrazole
- 20147-63-1
- 3-(4-nitrophenyl)-1-phenyl-1 h -pyrazole
-
- Inchi： 1S/C15H11N3O2/c19-18(20)14-8-6-12(7-9-14)15-10-11-17(16-15)13-4-2-1-3-5-13/h1-11H
- InChI Key： OASOSAYYSACSBS-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC(=CC=1)C1C=CN(C2C=CC=CC=2)N=1)=O
Computed Properties
- Exact Mass: 265.08523
- Monoisotopic Mass: 265.085126602g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 331
- 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: 3.4
- Topological Polar Surface Area: 63.6?2
Experimental Properties
- PSA: 60.96
1H-Pyrazole, 3-(4-nitrophenyl)-1-phenyl- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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