Cas no 165743-69-1 (Ethanone,1-(1-ethyl-5-methyl-1H-pyrazol-3-yl)-)
165743-69-1 structure
Product Name:Ethanone,1-(1-ethyl-5-methyl-1H-pyrazol-3-yl)-
CAS No:165743-69-1
MF:C8H12N2O
MW:152.193681716919
CID:110689
PubChem ID:22145369
Update Time:2025-04-18
Ethanone,1-(1-ethyl-5-methyl-1H-pyrazol-3-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(1-ethyl-5-methyl-1H-pyrazol-3-yl)-
- Ethanone, 1-(1-ethyl-5-methyl-1H-pyrazol-3-yl)- (9CI)
- 1-(1-ETHYL-5-METHYL-1H-PYRAZOL-3-YL)-1-ETHANONE
- OLIORJQCDXKJQP-UHFFFAOYSA-N
- 3-Acetyl-1-ethyl-5-methylpyrazole
- 1-(1-ETHYL-5-METHYLPYRAZOL-3-YL)ETHANONE
- 1-(1-ethyl-5-methyl-1H-pyrazol-3-yl)ethan-1-one
- SCHEMBL6078641
- 1-(1-Ethyl-5-methyl-1H-pyrazol-3-yl)ethanone
- AKOS027399827
- 165743-69-1
-
- Inchi： 1S/C8H12N2O/c1-4-10-6(2)5-8(9-10)7(3)11/h5H,4H2,1-3H3
- InChI Key： OLIORJQCDXKJQP-UHFFFAOYSA-N
- SMILES： O=C(C)C1C=C(C)N(CC)N=1
Computed Properties
- Exact Mass: 152.09506
- Monoisotopic Mass: 152.095
- 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
- Topological Polar Surface Area: 34.9A^2
- XLogP3: 1
Experimental Properties
- PSA: 34.89
Ethanone,1-(1-ethyl-5-methyl-1H-pyrazol-3-yl)- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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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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