Basic information
- Standard SMILES
CC(Nc1cc(C)nn1-c1c(Cl)cc(Cl)cc1Cl)=C1CCOC1=O- InChIKey
SGVXRADWELFURF-UHFFFAOYSA-N- Molecular formula
- C16H14Cl3N3O2
- Average molar mass
- 386.7 g/mol
Names & identifiers
- Preferred name
- 3-[1-[[5-Methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-yl]amino]ethylidene]oxolan-2-one
- IUPAC
- 3-[1-[[5-methyl-2-(2,4,6-trichlorophenyl)pyrazol-3-yl]amino]ethylidene]oxolan-2-one
Names & synonyms
SCHEMBL5826914
Database identifiers
- PubChem CID
- 69583571
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 519
Related reactions
1 records
Compound notes
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