Basic information
- CAS
55120-06-4- Standard SMILES
CCCCC1=NNC(=O)C1- InChIKey
LZKLBLBDAJYESY-UHFFFAOYSA-N- Molecular formula
- C7H12N2O
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.09496301
Names & identifiers
- Preferred name
- 3-Butyl-1,4-dihydropyrazol-5-one
- IUPAC
- 3-butyl-1,4-dihydropyrazol-5-one
Names & synonyms
3-butyl-1,4-dihydropyrazol-5-one55120-06-43-Butyl-1H-pyrazol-5(4H)-oneNSC6883425-Butyl-2,4-dihydro-3H-pyrazol-3-one3H-Pyrazol-3-one, 5-butyl-2,4-dihydro-SCHEMBL448702SCHEMBL5566058CHEMBL1977038DTXSID40327809NSC-688342NCI60_031900
Database identifiers
- CAS
55120-06-4- PubChem CID
- 390701
- DTXSID
DTXSID40327809- ChEMBL
CHEMBL1977038- Nikkaji
- J3.204.678I
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 163
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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