Basic information
- CAS
52781-11-0- Standard SMILES
CCOC(=O)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O- InChIKey
PSEBDQHBGBBFGY-UHFFFAOYSA-N- Molecular formula
- C15H17N3O4
- Average molar mass
- 303.31 g/mol
- Monoisotopic mass
- 303.12190603
Names & identifiers
- Preferred name
- Ethyl 2-((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)-2-oxoacetate
- IUPAC
- ethyl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoacetate
Names & synonyms
Acetic acid, ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)oxo-, ethyl ester52781-11-0DTXSID00200765RefChem:1084742DTXCID30123256Ethyl 2-((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)-2-oxoacetateBRN 0625060((2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)oxoacetic acid ethyl esterEthyl [(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino](oxo)acetate
Database identifiers
- CAS
52781-11-0- PubChem CID
- 40525
- DTXSID
DTXSID00200765
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 509
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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