Cas no 70583-59-4 (1H-Pyrazole, 1-acetyl-3,4,5-trimethyl- (9CI))
70583-59-4 structure
Product Name:1H-Pyrazole, 1-acetyl-3,4,5-trimethyl- (9CI)
CAS No:70583-59-4
MF:C8H12N2O
MW:152.193681716919
CID:975358
PubChem ID:45121400
Update Time:2025-04-19
1H-Pyrazole, 1-acetyl-3,4,5-trimethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazole, 1-acetyl-3,4,5-trimethyl- (9CI)
- 1-(3,4,5-Trimethyl-1H-pyrazol-1-yl)ethanone
- 70583-59-4
- 1H-PYRAZOLE, 1-ACETYL-3,4,5-TRIMETHYL-
- DB-279451
-
- Inchi： 1S/C8H12N2O/c1-5-6(2)9-10(7(5)3)8(4)11/h1-4H3
- InChI Key： VUZFMPMLTAZXDW-UHFFFAOYSA-N
- SMILES： O=C(C)N1C(C)=C(C)C(C)=N1
Computed Properties
- Exact Mass: 152.094963011g/mol
- 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: 0
- Complexity: 170
- 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: 1.3
- Topological Polar Surface Area: 34.9?2
1H-Pyrazole, 1-acetyl-3,4,5-trimethyl- (9CI) Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
70583-59-4 (1H-Pyrazole, 1-acetyl-3,4,5-trimethyl- (9CI)) Related Products
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