Basic information
- CAS
62707-50-0- Standard SMILES
Cc1c(NC(=O)C(=O)OC(C)C)c(=O)n(-c2ccccc2)n1C- InChIKey
WGEHKKXFRLSJAK-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-, 1-methylethyl ester
- IUPAC
- propan-2-yl 2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxoacetate
Names & synonyms
62707-50-0Acetic acid, ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)oxo-, 1-methylethyl esterDTXSID00211790RefChem:315881DTXCID30134281Propan-2-yl [(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino](oxo)acetate
Database identifiers
- CAS
62707-50-0- PubChem CID
- 44141
- DTXSID
DTXSID00211790
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 535
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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