1-(4-Cyanophenyl)-5-[4-(methylthio)phenyl]-3-(trifluoromethyl)pyrazole

HCID 22909697
Substructure searchFind similar structures

Basic information

Standard SMILES
CSc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(C#N)cc2)cc1
InChIKey
UEGZRNPHLJQLQO-UHFFFAOYSA-N
Molecular formula
C18H12F3N3S
Average molar mass
359.4 g/mol

Names & identifiers

Preferred name
1-(4-Cyanophenyl)-5-[4-(methylthio)phenyl]-3-(trifluoromethyl)pyrazole
IUPAC
4-[5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile

Names & synonyms

1-(4-cyanophenyl)-5-[4-(methylthio)phenyl]-3-(trifluoromethyl)pyrazoleSCHEMBL7461307

Database identifiers

PubChem CID
22909697

Properties

Computed structural properties

XLogP
4.7
Topological polar surface area
66.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
25

Related reactions

2 records
New reaction record

Linked notes

Loading…