3H-Pyrazol-3-one, 2,4-dihydro-4-hydroxy-5-(hydroxyphenylmethyl)-4-phenyl-
Basic information
- CAS
78523-92-9- Standard SMILES
O=C1NN=C(C(O)c2ccccc2)C1(O)c1ccccc1- InChIKey
OBJJCWCILVMRAY-UHFFFAOYSA-N- Molecular formula
- C16H14N2O3
- Average molar mass
- 282.29 g/mol
- Monoisotopic mass
- 282.10044231
Names & identifiers
- Preferred name
- 3H-Pyrazol-3-one, 2,4-dihydro-4-hydroxy-5-(hydroxyphenylmethyl)-4-phenyl-
- IUPAC
- 4-hydroxy-3-[hydroxy(phenyl)methyl]-4-phenyl-1H-pyrazol-5-one
Names & synonyms
78523-92-9NSC 3537403H-Pyrazol-3-one, 2,4-dihydro-4-hydroxy-5-(hydroxyphenylmethyl)-4-phenyl-NSC3534704-hydroxy-3-[hydroxy(phenyl)methyl]-4-phenyl-1H-pyrazol-5-oneDTXSID50999814NSC-3534705-[Hydroxy(phenyl)methyl]-4-phenyl-4H-pyrazole-3,4-diol
Database identifiers
- CAS
78523-92-9- PubChem CID
- 336995
- DTXSID
DTXSID50999814
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 425
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Compound notes
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