Cas no 73773-25-8 (1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-1-phenyl-, methyl ester)
73773-25-8 structure
Product Name:1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-1-phenyl-, methyl ester
CAS No:73773-25-8
MF:C13H14N2O2
MW:230.262463092804
CID:542008
PubChem ID:60211008
Update Time:2025-04-19
1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-1-phenyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-1-phenyl-, methyl ester
- methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
- 73773-25-8
- AKOS007968191
- DTXSID60733887
- Methyl 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxylate
- Z25453050
- SCHEMBL15153224
-
- Inchi: 1S/C13H14N2O2/c1-9-12(13(16)17-3)10(2)15(14-9)11-7-5-4-6-8-11/h4-8H,1-3H3
- InChI Key: KAEPSCXMKSXLKM-UHFFFAOYSA-N
- SMILES: O(C)C(C1C(C)=NN(C2C=CC=CC=2)C=1C)=O
Computed Properties
- Exact Mass: 230.105527694g/mol
- Monoisotopic Mass: 230.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 277
- 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: 2.8
- Topological Polar Surface Area: 44.1?2
1H-Pyrazole-4-carboxylic acid, 3,5-dimethyl-1-phenyl-, methyl ester Related Literature
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Hui Liu,Deyong Su,Guolin Cheng,Jimin Xu,Xinyan Wang,Yuefei Hu Org. Biomol. Chem., 2010,8, 1899-1904
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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3. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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