1-cyanomethyl-4-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-5-(trifluoromethyl)-1H-pyrazole
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Basic information
- Standard SMILES
CS(=O)(=O)c1ccc(-c2nn(CC#N)c(C(F)(F)F)c2-c2ccc(F)cc2)cc1- InChIKey
LVPKJAPVTSTIJA-UHFFFAOYSA-N- Molecular formula
- C19H13F4N3O2S
- Average molar mass
- 423.4 g/mol
Names & identifiers
- Preferred name
- 1-cyanomethyl-4-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-5-(trifluoromethyl)-1H-pyrazole
- IUPAC
- 2-[4-(4-fluorophenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetonitrile
Names & synonyms
1-cyanomethyl-4-(4-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-5-(trifluoromethyl)-1H-pyrazoleSCHEMBL7777550
Database identifiers
- PubChem CID
- 15380225
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 714
Related reactions
5 records
Compound notes
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