Cas no 343867-28-7 (Ethanone,1-[3-methyl-5-(1-methylethyl)-1H-pyrazol-4-yl]-)
![Ethanone,1-[3-methyl-5-(1-methylethyl)-1H-pyrazol-4-yl]- structure](https://ossimg.kuujia.com/scimg/344000/343867-28-7x500.png)
343867-28-7 structure
Product Name:Ethanone,1-[3-methyl-5-(1-methylethyl)-1H-pyrazol-4-yl]-
CAS No:343867-28-7
MF:C9H14N2O
MW:166.220262050629
CID:302375
PubChem ID:10749582
Update Time:2025-04-19
Ethanone,1-[3-methyl-5-(1-methylethyl)-1H-pyrazol-4-yl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-[3-methyl-5-(1-methylethyl)-1H-pyrazol-4-yl]-
- Ethanone, 1-[3-methyl-5-(1-methylethyl)-1H-pyrazol-4-yl]- (9CI)
- 343867-28-7
- SCHEMBL22678620
- 1-(3-Isopropyl-5-methyl-1H-pyrazol-4-yl)ethanone
-
- Inchi： 1S/C9H14N2O/c1-5(2)9-8(7(4)12)6(3)10-11-9/h5H,1-4H3,(H,10,11)
- InChI Key： FDIPFWQJBGVJMP-UHFFFAOYSA-N
- SMILES： O=C(C)C1=C(C)NN=C1C(C)C
Computed Properties
- Exact Mass: 166.11072
- Monoisotopic Mass: 166.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 179
- 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: 1.5
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 45.75
Ethanone,1-[3-methyl-5-(1-methylethyl)-1H-pyrazol-4-yl]- Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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