Basic information
- CAS
62707-49-7- Standard SMILES
CCCOC(=O)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O- InChIKey
WWCRPNOVKKFXDY-UHFFFAOYSA-N- Molecular formula
- C16H19N3O4
- Average molar mass
- 317.34 g/mol
- Monoisotopic mass
- 317.1375561
Names & identifiers
- Preferred name
- Acetic acid, ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)oxo-, propyl ester
- IUPAC
- propyl 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-, propyl ester62707-49-7DTXSID90211789((2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)oxoacetic acid propyl esterRefChem:315886DTXCID70134280Propyl [(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino](oxo)acetate
Database identifiers
- CAS
62707-49-7- PubChem CID
- 44140
- DTXSID
DTXSID90211789
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 523
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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