Basic information
- Standard SMILES
Nc1cc(C(=O)C2CCCO2)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1- InChIKey
FRHVCAXJUIVBDO-UHFFFAOYSA-N- Molecular formula
- C15H12Cl2F3N3O2
- Average molar mass
- 394.2 g/mol
- Monoisotopic mass
- 393.0258665
Names & identifiers
- Preferred name
- 1-(2,6-Dichloro-4-trifluoromethylphenyl)-5-(2-tetrahydrofuroyl)-amino-pyrazole
- IUPAC
- [3-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]pyrazol-5-yl]-(oxolan-2-yl)methanone
Names & synonyms
1-(2,6-dichloro-4-trifluoromethylphenyl)-5-(2-tetrahydrofuroyl)-amino-pyrazoleSCHEMBL10672386
Database identifiers
- PubChem CID
- 21291150
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 499
Related reactions
1 records
Compound notes
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