Basic information
- CAS
23711-43-5- Standard SMILES
CCOC(=O)c1ccc(N=Cc2c(-c3ccccc3)[nH]n(-c3ccccc3)c2=O)cc1- InChIKey
SDMPCIKWMYGJRK-UHFFFAOYSA-N- Molecular formula
- C25H21N3O3
- Average molar mass
- 411.5 g/mol
- Monoisotopic mass
- 411.15829154
Names & identifiers
- Preferred name
- Ethyl p-((1,3-diphenyl-5-oxo-2-pyrazolin-4-ylidene)methylamino)benzoate
- IUPAC
- ethyl 4-[(3-oxo-2,5-diphenyl-1H-pyrazol-4-yl)methylideneamino]benzoate
- English name
- 4-[[(3,4-Dihydro-3-oxo-2,5-diphenyl-2H-pyrazol-4-ylidene)methyl]amino]benzoic acid ethyl ester
- Molecular formula
- C25H21N3O3
- Molecular weight
- 411.45
Names & synonyms
23711-43-5Ethyl p-((1,3-diphenyl-5-oxo-2-pyrazolin-4-ylidene)methylamino)benzoateBRN 0856037Benzoic acid, p-((1,3-diphenyl-5-oxo-2-pyrazolin-4-ylidene)methylamino)-, ethyl esterDTXSID7013841814-[[(3,4-Dihydro-3-oxo-2,5-diphenyl-2H-pyrazol-4-ylidene)methyl]amino]benzoic acid ethyl esterBenzoic acid, 4-[[(1,5-dihydro-5-oxo-1,3-diphenyl-4H-pyrazol-4-ylidene)methyl]amino]-, ethyl ester
Database identifiers
- CAS
23711-43-5- PubChem CID
- 32046
- DTXSID
DTXSID701384181- Nikkaji
- J42.701B
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 71 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 697
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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