5-Methanesulfonyl-2-[5-(4-methoxy-3-methyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-pyridine

HCID 12972729
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Basic information

Standard SMILES
COc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)cn2)cc1C
InChIKey
ZWJUOYUYIQDUSS-UHFFFAOYSA-N
Molecular formula
C18H16F3N3O3S
Average molar mass
411.4 g/mol

Names & identifiers

Preferred name
5-Methanesulfonyl-2-[5-(4-methoxy-3-methyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-pyridine
IUPAC
2-[5-(4-methoxy-3-methylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-methylsulfonylpyridine

Names & synonyms

CHEMBL1763875-Methanesulfonyl-2-[5-(4-methoxy-3-methyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-pyridineSCHEMBL6168426BDBM501374152-[5-(3-methyl-4-methoxy-phenyl)-3-trifluoromethyl-pyrazol-1-yl]5-methanesulfonylpyridine

Database identifiers

PubChem CID
12972729
ChEMBL
CHEMBL176387

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
82.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
28

Related reactions

1 records
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Compound notes

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