Cas no 69413-00-9 (1-(3-methyl-1H-pyrazol-1-yl)-Ethanone)
69413-00-9 structure
Product Name:1-(3-methyl-1H-pyrazol-1-yl)-Ethanone
CAS No:69413-00-9
MF:C6H8N2O
MW:124.1405210495
CID:1116172
PubChem ID:15322610
Update Time:2025-04-20
1-(3-methyl-1H-pyrazol-1-yl)-Ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(3-methyl-1H-pyrazol-1-yl)-Ethanone
- 1-(3-methylpyrazol-1-yl)ethanone
- 69413-00-9
- 1-(3-Methyl-1H-pyrazol-1-yl)ethan-1-one
- SCHEMBL12126287
- 1-acetyl-3(5)-methyl-pyrazole
- DTXSID20571449
-
- Inchi： 1S/C6H8N2O/c1-5-3-4-8(7-5)6(2)9/h3-4H,1-2H3
- InChI Key： AYROQBONDBHTHJ-UHFFFAOYSA-N
- SMILES： O=C(C)N1C=CC(C)=N1
Computed Properties
- Exact Mass: 124.06374
- Monoisotopic Mass: 124.063662883g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 124
- 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: 0.5
- Topological Polar Surface Area: 34.9?2
Experimental Properties
- PSA: 34.89
1-(3-methyl-1H-pyrazol-1-yl)-Ethanone Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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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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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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