ethyl 3-oxo-1-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate
Basic information
- CAS
88585-10-8- Standard SMILES
CCOC(=O)c1cn(-c2ccccc2)[nH]c1=O- InChIKey
WLKZERYRSTXKEN-UHFFFAOYSA-N- Molecular formula
- C12H12N2O3
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.08479225
Names & identifiers
- Preferred name
- ethyl 3-oxo-1-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylate
- IUPAC
- ethyl 5-oxo-2-phenyl-1H-pyrazole-4-carboxylate
Names & synonyms
88585-10-8ethyl 3-oxo-1-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylateSCHEMBL4289304SCHEMBL4854443DTXSID80586256WLKZERYRSTXKEN-UHFFFAOYSA-NAKOS000277787DB-416205ethyl 3-hydroxy-1-phenyl-1H-pyrazole-4-carboxylateEthyl 2,3-dihydro-3-oxo-1-phenyl-1H-pyrazole-4-carboxylate3-Oxo-1-phenyl-2,3-dihydro-1H-pyrazole-4-carboxylic acid ethyl ester
Database identifiers
- CAS
88585-10-8- PubChem CID
- 16638015
- DTXSID
DTXSID80586256
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 346
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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