Basic information
- Standard SMILES
CC(=O)NC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1- InChIKey
UQUSTYXIEAIUPS-UHFFFAOYSA-N- Molecular formula
- C11H8Cl3N3O2
- Average molar mass
- 320.6 g/mol
- Monoisotopic mass
- 318.96821
Names & identifiers
- Preferred name
- N-[5-oxo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl]acetamide
- IUPAC
- N-[5-oxo-1-(2,4,6-trichlorophenyl)-4H-pyrazol-3-yl]acetamide
Names & synonyms
SCHEMBL9344030UQUSTYXIEAIUPS-UHFFFAOYSA-NN-[5-oxo-1-(2,4,6-trichlorophenyl)-2-pyrazolin-3-yl]acetamideAKOS024379314ST510243663-acetamido-1-(2,4,6-trichlorophenyl)-2-pyrazolin-5-one1-(2,4,6-trichlorophenyl)-3 -acetylamino-5-oxo-2-pyrazoline1-(2,4,6-trichlorophenyl)-3-acetylamino-5-oxo-2-pyrazoline3-acetylamino-1-(2,4,6-trichlorophenyl)-4,5-dihydropyrazol-5-one
Database identifiers
- PubChem CID
- 4497701
- Nikkaji
- J120.414I
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 417
Related reactions
6 records
Compound notes
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