Cas no 62160-79-6 (1H-Pyrazole-3-carboxylic acid, 1-(3-methylphenyl)-5-phenyl-)
62160-79-6 structure
Product Name:1H-Pyrazole-3-carboxylic acid, 1-(3-methylphenyl)-5-phenyl-
CAS No:62160-79-6
MF:C17H14N2O2
MW:278.305263996124
CID:455916
PubChem ID:869081
Update Time:2025-04-19
1H-Pyrazole-3-carboxylic acid, 1-(3-methylphenyl)-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-3-carboxylic acid, 1-(3-methylphenyl)-5-phenyl-
- 1-(3-methylphenyl)-5-phenylpyrazole-3-carboxylic acid
- 1DZ
- 1-(3-Methylphenyl)-5-Phenyl-1h-Pyrazole-3-Carboxylic Acid
- AKOS009156740
- 5-Phenyl-1-(m-tolyl)-1H-pyrazole-3-carboxylic acid
- 4luo
- CHEMBL3088227
- 62160-79-6
- Oprea1_112599
- Q27451960
- DTXSID40357828
- BDBM50443304
-
- Inchi: 1S/C17H14N2O2/c1-12-6-5-9-14(10-12)19-16(11-15(18-19)17(20)21)13-7-3-2-4-8-13/h2-11H,1H3,(H,20,21)
- InChI Key: XDKDJRWOHMIRGN-UHFFFAOYSA-N
- SMILES: OC(C1C=C(C2C=CC=CC=2)N(C2C=CC=C(C)C=2)N=1)=O
Computed Properties
- Exact Mass: 278.10562
- Monoisotopic Mass: 278.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 368
- 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: 3.8
- Topological Polar Surface Area: 55.1?2
Experimental Properties
- PSA: 55.12
1H-Pyrazole-3-carboxylic acid, 1-(3-methylphenyl)-5-phenyl- Related Literature
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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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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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