Basic information
- CAS
93778-27-9- Standard SMILES
CCCCCCCCCCCC1=NNC(=O)C1- InChIKey
YFBPEWHQTCFADX-UHFFFAOYSA-N- Molecular formula
- C14H26N2O
- Average molar mass
- 238.37 g/mol
- Monoisotopic mass
- 238.20451346
Names & identifiers
- Preferred name
- 2,4-dihydro-5-undecyl-3H-pyrazol-3-one
- IUPAC
- 3-undecyl-1,4-dihydropyrazol-5-one
- English name
- 2,4-dihydro-5-undecyl-3H-pyrazol-3-one
- Molecular formula
- C14H26N2O
- Molecular weight
- 238.37
Names & synonyms
2,4-Dihydro-5-undecyl-3H-pyrazol-3-one93778-27-9EINECS 298-162-2DTXSID00239631RefChem:82437DTXCID50162122298-162-2SCHEMBL29733456YFBPEWHQTCFADX-UHFFFAOYSA-N5-Undecyl-2,4-dihydro-3H-pyrazol-3-oneNS000396153-undecyl-1,4-dihydropyrazol-5-one
Show more names
3H-Pyrazol-3-one, 2,4-dihydro-5-undecyl-
Database identifiers
- CAS
93778-27-9- PubChem CID
- 3022331
- DTXSID
DTXSID00239631- EC Number
- 298-162-2
- Nikkaji
- J348.739C
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 10
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 249
Chemistry & industry
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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