Cas no 1152828-40-4 (1-(1-Methylpyrazol-4-yl)pentan-1-one)
1152828-40-4 structure
Product Name:1-(1-Methylpyrazol-4-yl)pentan-1-one
CAS No:1152828-40-4
MF:C9H14N2O
MW:166.220262050629
CID:2103297
Update Time:2023-08-03
1-(1-Methylpyrazol-4-yl)pentan-1-one Chemical and Physical Properties
Names and Identifiers
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- 1-(1-methyl-1H-pyrazol-4-yl)pentan-1-one
- 1-(1-Methylpyrazol-4-yl)pentan-1-one
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- Inchi： 1S/C9H14N2O/c1-3-4-5-9(12)8-6-10-11(2)7-8/h6-7H,3-5H2,1-2H3
- InChI Key： VNDRUMZLEMISCY-UHFFFAOYSA-N
- SMILES： O=C(C1C=NN(C)C=1)CCCC
Computed Properties
- Exact Mass: 166.111
- Monoisotopic Mass: 166.111
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 159
- 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: 34.9
1-(1-Methylpyrazol-4-yl)pentan-1-one Related Literature
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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