1-Ethyl-4-(4-fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-5-trifluoromethyl-1H-pyrazole
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Basic information
- Standard SMILES
CCn1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c1C(F)(F)F- InChIKey
XKSNSSNGFIQSFK-UHFFFAOYSA-N- Molecular formula
- C19H16F4N2O2S
- Average molar mass
- 412.4 g/mol
Names & identifiers
- Preferred name
- 1-Ethyl-4-(4-fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-5-trifluoromethyl-1H-pyrazole
- IUPAC
- 1-ethyl-4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazole
Names & synonyms
CHEMBL681271-Ethyl-4-(4-fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-5-trifluoromethyl-1H-pyrazoleSCHEMBL216401BDBM502899751-ethyl-4-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-5-(trifluoromethyl)-1H-pyrazole
Database identifiers
- PubChem CID
- 9844547
- ChEMBL
CHEMBL68127
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 621
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Related reactions
9 records
Compound notes
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