Cas no 82387-91-5 (3H-Pyrazol-3-one, 2-hexyl-2,4-dihydro-5-methyl-)
82387-91-5 structure
Product Name:3H-Pyrazol-3-one, 2-hexyl-2,4-dihydro-5-methyl-
CAS No:82387-91-5
MF:C10H18N2O
MW:182.262722492218
CID:692139
PubChem ID:3522066
Update Time:2025-04-19
3H-Pyrazol-3-one, 2-hexyl-2,4-dihydro-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 3H-Pyrazol-3-one, 2-hexyl-2,4-dihydro-5-methyl-
- 2-hexyl-5-methyl-4H-pyrazol-3-one
- 1-Hexyl-3-methyl-1H-pyrazol-5(4H)-one
- 82387-91-5
- DTXSID80393280
- AKOS005607230
- 1-hexyl-3-methyl-2-pyrazolin-5-one
-
- Inchi： 1S/C10H18N2O/c1-3-4-5-6-7-12-10(13)8-9(2)11-12/h3-8H2,1-2H3
- InChI Key： OIPPWAMVRPIVHF-UHFFFAOYSA-N
- SMILES： O=C1CC(C)=NN1CCCCCC
Computed Properties
- Exact Mass: 182.141913202g/mol
- Monoisotopic Mass: 182.141913202g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 211
- 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: 2
- Topological Polar Surface Area: 32.7?2
3H-Pyrazol-3-one, 2-hexyl-2,4-dihydro-5-methyl- Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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