Cas no 852816-13-8 (1H-Pyrazole-3-carboxylic acid, 5-(4-hydroxyphenyl)-1-methyl-, ethylester)
852816-13-8 structure
Product Name:1H-Pyrazole-3-carboxylic acid, 5-(4-hydroxyphenyl)-1-methyl-, ethylester
CAS No:852816-13-8
MF:C13H14N2O3
MW:246.261863231659
CID:1835676
PubChem ID:136387185
Update Time:2025-04-21
1H-Pyrazole-3-carboxylic acid, 5-(4-hydroxyphenyl)-1-methyl-, ethylester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-3-carboxylic acid, 5-(4-hydroxyphenyl)-1-methyl-, ethylester
- SCHEMBL4693449
- DB-142401
- ethyl 5-(4-hydroxyphenyl)-1-methyl-1h-pyrazole-3-carboxylate
- 852816-13-8
- DTXSID801184279
-
- Inchi： 1S/C13H14N2O3/c1-3-18-13(17)11-8-12(15(2)14-11)9-4-6-10(16)7-5-9/h4-8,16H,3H2,1-2H3
- InChI Key： VFMXSENLHJLWTN-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=C(C2C=CC(=CC=2)O)N(C)N=1)=O
Computed Properties
- Exact Mass: 246.10044231g/mol
- Monoisotopic Mass: 246.10044231g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 290
- 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: 2.1
- Topological Polar Surface Area: 64.4?2
1H-Pyrazole-3-carboxylic acid, 5-(4-hydroxyphenyl)-1-methyl-, ethylester 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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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
852816-13-8 (1H-Pyrazole-3-carboxylic acid, 5-(4-hydroxyphenyl)-1-methyl-, ethylester) Related Products
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