Cas no 185389-74-6 (1-butyl-1,2-dihydro-3H-Pyrazol-3-one)
185389-74-6 structure
Product Name:1-butyl-1,2-dihydro-3H-Pyrazol-3-one
CAS No:185389-74-6
MF:C7H12N2O
MW:140.182981491089
CID:1108166
PubChem ID:22918622
Update Time:2025-04-20
1-butyl-1,2-dihydro-3H-Pyrazol-3-one Chemical and Physical Properties
Names and Identifiers
-
- 1-butyl-1,2-dihydro-3H-Pyrazol-3-one
- 2-butyl-1H-pyrazol-5-one
- 1-butyl-1H-pyrazol-3(2H)-one
- SCHEMBL8198312
- DTXSID40628909
- SCHEMBL23402376
- 1-butyl-2,3-dihydro-1H-pyrazol-3-one
- EN300-1165477
- 185389-74-6
-
- Inchi： 1S/C7H12N2O/c1-2-3-5-9-6-4-7(10)8-9/h4,6H,2-3,5H2,1H3,(H,8,10)
- InChI Key： VCPICYDZAWZYBA-UHFFFAOYSA-N
- SMILES： O=C1C=CN(CCCC)N1
Computed Properties
- Exact Mass: 140.094963011g/mol
- Monoisotopic Mass: 140.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 154
- 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: 1.1
- Topological Polar Surface Area: 32.3?2
1-butyl-1,2-dihydro-3H-Pyrazol-3-one Related Literature
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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