Cas no 39784-88-8 (Benzoic acid,2-(5-phenyl-1H-pyrazol-3-yl)-)
39784-88-8 structure
Product Name:Benzoic acid,2-(5-phenyl-1H-pyrazol-3-yl)-
CAS No:39784-88-8
MF:C16H12N2O2
MW:264.278683662415
CID:320767
PubChem ID:12948319
Update Time:2025-04-19
Benzoic acid,2-(5-phenyl-1H-pyrazol-3-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2-(5-phenyl-1H-pyrazol-3-yl)-
- 2-(3-phenyl-1H-pyrazol-5-yl)benzoic acid
- 2-(5-Phenylpyrazol-3-yl)benzoicacid
- 3-(2-Carboxyphenyl)-5-phenylpyrazole
- 5-(2-Carboxyphenyl)-3-phenylpyrazole
- SCHEMBL11713276
- Benzoic acid, 2-(5-phenyl-1H-pyrazol-3-yl)-
- DTXSID70192860
- 39784-88-8
- PMONVZGQHAFKQF-UHFFFAOYSA-N
-
- Inchi： 1S/C16H12N2O2/c19-16(20)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)(H,19,20)
- InChI Key： PMONVZGQHAFKQF-UHFFFAOYSA-N
- SMILES： OC(C1C=CC=CC=1C1=CC(C2C=CC=CC=2)=NN1)=O
Computed Properties
- Exact Mass: 264.08996
- Monoisotopic Mass: 264.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 341
- 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: 3.1
- Topological Polar Surface Area: 66?2
Experimental Properties
- PSA: 65.98
Benzoic acid,2-(5-phenyl-1H-pyrazol-3-yl)- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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