Cas no 108132-59-8 (Methanone,(3,5-dimethyl-1H-pyrazol-1-yl)(4-ethoxy-3,5-dimethoxyphenyl)-)
108132-59-8 structure
Product Name:Methanone,(3,5-dimethyl-1H-pyrazol-1-yl)(4-ethoxy-3,5-dimethoxyphenyl)-
CAS No:108132-59-8
MF:C16H20N2O4
MW:304.341004371643
CID:164449
PubChem ID:3065473
Update Time:2025-04-19
Methanone,(3,5-dimethyl-1H-pyrazol-1-yl)(4-ethoxy-3,5-dimethoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanone,(3,5-dimethyl-1H-pyrazol-1-yl)(4-ethoxy-3,5-dimethoxyphenyl)-
- (3,5-dimethylpyrazol-1-yl)-(4-ethoxy-3,5-dimethoxyphenyl)methanone
- 108132-59-8
- 1-(4-Ethoxy-3,5-dimethoxybenzoyl)-3,5-dimethyl-1H-pyrazole
- 1H-Pyrazole, 1-(4-ethoxy-3,5-dimethoxybenzoyl)-3,5-dimethyl-
- DTXSID90148420
- BRN 5973002
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- Inchi: 1S/C16H20N2O4/c1-6-22-15-13(20-4)8-12(9-14(15)21-5)16(19)18-11(3)7-10(2)17-18/h7-9H,6H2,1-5H3
- InChI Key: NENMBVQLWYILRX-UHFFFAOYSA-N
- SMILES: O(CC)C1C(=CC(=CC=1OC)C(N1C(C)=CC(C)=N1)=O)OC
Computed Properties
- Exact Mass: 304.1424
- Monoisotopic Mass: 304.142
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 5
- Complexity: 365
- 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: 2.9
- Topological Polar Surface Area: 62.6?2
Experimental Properties
- Density: 1.16
- Boiling Point: 478.7°Cat760mmHg
- Flash Point: 243.3°C
- Refractive Index: 1.542
- PSA: 62.58
- LogP: 2.60430
Methanone,(3,5-dimethyl-1H-pyrazol-1-yl)(4-ethoxy-3,5-dimethoxyphenyl)- Related Literature
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1. 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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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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