Basic information
- CAS
879063-09-9- Standard SMILES
COCCCN=C(C)c1c(-c2ccc(OC)cc2)[nH]n(-c2ccccc2)c1=O- InChIKey
OSRHOIJKYIVBMO-UHFFFAOYSA-N- Molecular formula
- C22H25N3O3
- Average molar mass
- 379.5 g/mol
- Monoisotopic mass
- 379.18959167
Names & identifiers
- Preferred name
- (4Z)-5-(4-methoxyphenyl)-4-{1-[(3-methoxypropyl)amino]ethylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
- IUPAC
- 5-(4-methoxyphenyl)-4-[N-(3-methoxypropyl)-C-methylcarbonimidoyl]-2-phenyl-1H-pyrazol-3-one
Names & synonyms
(4Z)-5-(4-methoxyphenyl)-4-{1-[(3-methoxypropyl)amino]ethylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one5-(4-Methoxyphenyl)-4-{1-[(3-methoxypropyl)amino]ethylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-oneDTXSID001115107STK232011AKOS000632878AKOS003385217ST503739793-(4-methoxyphenyl)-4-{[(3-methoxypropyl)amino]ethylidene}-1-phenyl-1,2-diazol in-5-one(4E)-5-(4-methoxyphenyl)-4-{1-[(3-methoxypropyl)amino]ethylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one2,4-Dihydro-5-(4-methoxyphenyl)-4-[1-[(3-methoxypropyl)amino]ethylidene]-2-phenyl-3H-pyrazol-3-one879063-09-9
Database identifiers
- CAS
879063-09-9- PubChem CID
- 135415045
- DTXSID
DTXSID001115107
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 63.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 588
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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