6-((Dimethylamino)ME)-7-HO-8-ME-3-(1-phenyl-1H-pyrazol-4-YL)-4H-chromen-4-one
Basic information
- CAS
431066-12-5- Standard SMILES
Cc1c(O)c(CN(C)C)cc2c(=O)c(-c3cnn(-c4ccccc4)c3)coc12- InChIKey
CKHNSMOSKONTRL-UHFFFAOYSA-N- Molecular formula
- C22H21N3O3
- Average molar mass
- 375.4 g/mol
- Monoisotopic mass
- 375.15829154
Names & identifiers
- Preferred name
- 6-((Dimethylamino)ME)-7-HO-8-ME-3-(1-phenyl-1H-pyrazol-4-YL)-4H-chromen-4-one
- IUPAC
- 6-[(dimethylamino)methyl]-7-hydroxy-8-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
Names & synonyms
Oprea1_243334Oprea1_465819AKOS0036145466-((DIMETHYLAMINO)ME)-7-HO-8-ME-3-(1-PHENYL-1H-PYRAZOL-4-YL)-4H-CHROMEN-4-ONE6-[(dimethylamino)methyl]-7-hydroxy-8-methyl-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-4-one
Database identifiers
- CAS
431066-12-5- PubChem CID
- 4465732
- EC Number
- 103-494-7
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 67.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 602
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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