Ethanediamide, N-(4-(((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)carbonyl)phenyl)-N'-pentyl-
Basic information
- CAS
40528-32-3- Standard SMILES
CCCCCNC(=O)C(=O)Nc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1- InChIKey
SQZNYCYRSKQRSH-UHFFFAOYSA-N- Molecular formula
- C25H29N5O4
- Average molar mass
- 463.5 g/mol
- Monoisotopic mass
- 463.22195442
Names & identifiers
- Preferred name
- Ethanediamide, N-(4-(((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)carbonyl)phenyl)-N'-pentyl-
- IUPAC
- N'-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-N-pentyloxamide
Names & synonyms
BRN 073045940528-32-3Ethanediamide, N-(4-(((2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino)carbonyl)phenyl)-N'-pentyl-RefChem:340085DTXSID30960946N-{4-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]phenyl}(oxo)(pentylamino)ethanimidic acidN-{4-[(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)carbamoyl]phenyl}-2-oxo-2-(pentylamino)ethanimidic acid
Database identifiers
- CAS
40528-32-3- PubChem CID
- 218381
- DTXSID
DTXSID30960946
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 797
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…