1-(5-hydroxy-5-phenyl-4H-pyrazol-1-yl)-2-methylpropan-1-one
Basic information
- CAS
89090-03-9- Standard SMILES
CC(C)C(=O)N1N=CCC1(O)c1ccccc1- InChIKey
AABFFPXDKYZIPL-UHFFFAOYSA-N- Molecular formula
- C13H16N2O2
- Average molar mass
- 232.28 g/mol
- Monoisotopic mass
- 232.12117776
Names & identifiers
- Preferred name
- 1-(5-hydroxy-5-phenyl-4H-pyrazol-1-yl)-2-methylpropan-1-one
- IUPAC
- 1-(5-hydroxy-5-phenyl-4H-pyrazol-1-yl)-2-methylpropan-1-one
Names & synonyms
89090-03-9ST50992672DTXSID60399907AKOS0243619431-(5-hydroxy-5-phenyl(2-pyrazolinyl))-2-methylpropan-1-one1-(5-Hydroxy-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)-2-methylpropan-1-one
Database identifiers
- CAS
89090-03-9- PubChem CID
- 4147253
- DTXSID
DTXSID60399907
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 321
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…