Cas no 852816-09-2 (1H-Pyrazole-5-carboxylic acid, 1-methyl-3-[4-(phenylmethoxy)phenyl]-,ethyl ester)
852816-09-2 structure
Product Name:1H-Pyrazole-5-carboxylic acid, 1-methyl-3-[4-(phenylmethoxy)phenyl]-,ethyl ester
CAS No:852816-09-2
MF:C20H20N2O3
MW:336.384405136108
CID:1835675
PubChem ID:69147388
Update Time:2025-04-21
1H-Pyrazole-5-carboxylic acid, 1-methyl-3-[4-(phenylmethoxy)phenyl]-,ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-5-carboxylic acid, 1-methyl-3-[4-(phenylmethoxy)phenyl]-,ethyl ester
- ethyl 3-(4-(benzyloxy)phenyl)-1-methyl-1H-pyrazole-5-carboxylate
- 852816-09-2
- DA-34203
- SCHEMBL4692188
-
- Inchi: 1S/C20H20N2O3/c1-3-24-20(23)19-13-18(21-22(19)2)16-9-11-17(12-10-16)25-14-15-7-5-4-6-8-15/h4-13H,3,14H2,1-2H3
- InChI Key: YVZQQJKOTGVAMB-UHFFFAOYSA-N
- SMILES: O(CC1C=CC=CC=1)C1C=CC(=CC=1)C1C=C(C(=O)OCC)N(C)N=1
Computed Properties
- Exact Mass: 336.14739250g/mol
- Monoisotopic Mass: 336.14739250g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 7
- Complexity: 417
- 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: 3.9
- Topological Polar Surface Area: 53.4?2
1H-Pyrazole-5-carboxylic acid, 1-methyl-3-[4-(phenylmethoxy)phenyl]-,ethyl ester Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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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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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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