Cas no 165744-17-2 (Ethanone, 1-(5-ethyl-1-methyl-1H-pyrazol-3-yl)- (9CI))
165744-17-2 structure
Product Name:Ethanone, 1-(5-ethyl-1-methyl-1H-pyrazol-3-yl)- (9CI)
CAS No:165744-17-2
MF:C8H12N2O
MW:152.193681716919
CID:1350040
PubChem ID:22145403
Update Time:2025-04-20
Ethanone, 1-(5-ethyl-1-methyl-1H-pyrazol-3-yl)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(5-ethyl-1-methyl-1H-pyrazol-3-yl)- (9CI)
- SCHEMBL6079670
- NIOIXCCDWJWNEY-UHFFFAOYSA-N
- DB-287116
- 1-(5-Ethyl-1-methyl-1H-pyrazol-3-yl)ethanone
- 1-(5-ethyl-1-methylpyrazol-3-yl)ethanone
- 3-Acetyl-5-ethyl-1-methylpyrazole
- 165744-17-2
- ETHANONE, 1-(5-ETHYL-1-METHYL-1H-PYRAZOL-3-YL)-
-
- Inchi： 1S/C8H12N2O/c1-4-7-5-8(6(2)11)9-10(7)3/h5H,4H2,1-3H3
- InChI Key： NIOIXCCDWJWNEY-UHFFFAOYSA-N
- SMILES： O=C(C)C1C=C(CC)N(C)N=1
Computed Properties
- Exact Mass: 152.09506
- Monoisotopic Mass: 152.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 158
- 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: 1.1
- Topological Polar Surface Area: 34.9?2
Experimental Properties
- PSA: 34.89
Ethanone, 1-(5-ethyl-1-methyl-1H-pyrazol-3-yl)- (9CI) Related Literature
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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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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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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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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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