Basic information
- CAS
62707-51-1- Standard SMILES
CCCCOC(=O)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O- InChIKey
CQSLQMGVFIUXCP-UHFFFAOYSA-N- Molecular formula
- C17H21N3O4
- Average molar mass
- 331.4 g/mol
- Monoisotopic mass
- 331.15320616
Names & identifiers
- Preferred name
- Acetic acid, ((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)oxo-, butyl ester
- IUPAC
- butyl 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-, butyl ester62707-51-1DTXSID60211791((2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)oxoacetic acid butyl esterRefChem:315883DTXCID90134282butyl [(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino](oxo)acetate
Database identifiers
- CAS
62707-51-1- PubChem CID
- 44142
- DTXSID
DTXSID60211791
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 79 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 538
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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