2-(3,4-Dimethoxyphenyl)-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]ethanone
Basic information
- CAS
676438-99-6- Standard SMILES
COc1ccc(CC(=O)n2nc(-c3ccc(F)cc3)cc2SC)cc1OC- InChIKey
JIDNNLHVVHHHEK-UHFFFAOYSA-N- Molecular formula
- C20H19FN2O3S
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.11004181
Names & identifiers
- Preferred name
- 2-(3,4-Dimethoxyphenyl)-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]ethanone
- IUPAC
- 2-(3,4-dimethoxyphenyl)-1-[3-(4-fluorophenyl)-5-methylsulfanylpyrazol-1-yl]ethanone
Names & synonyms
2-(3,4-Dimethoxyphenyl)-1-[3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl]ethanone676438-99-62-(3,4-Dimethoxyphenyl)-1-(3-(4-fluorophenyl)-5-(methylthio)-1H-pyrazol-1-yl)ethanoneRefChem:251217Maybridge4_000954DTXSID001127304HMS1523L08CCG-47409IDI1_031536SR-01000637026-1BRD-K24865809-001-02-22-(3,4-Dimethoxyphenyl)-1-[3-(4-fluorophenyl)-5-(methylsulfanyl)-1H-pyrazol-1-yl]ethan-1-one
Database identifiers
- CAS
676438-99-6- PubChem CID
- 2808057
- DTXSID
DTXSID001127304
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 78.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 490
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…