4-(4-fluorophenyl)-1-methyl-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole

C18H14F4N2S — CID 15380219

IUPAC4-(4-fluorophenyl)-1-methyl-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole
SMILESCSc1ccc(-c2nn(C)c(C(F)(F)F)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H14F4N2S/c1-24-17(18(20,21)22)15(11-3-7-13(19)8-4-11)16(23-24)12-5-9-14(25-2)10-6-12/h3-10H,1-2H3
InChIKeyUHIWLXHJLVPIGS-UHFFFAOYSA-N
MW366.38 g/mol
LogP5.63
Rot. Bonds3

About 4-(4-fluorophenyl)-1-methyl-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole

4-(4-fluorophenyl)-1-methyl-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole (PubChem CID 15380219) has the molecular formula C18H14F4N2S and a molecular weight of 366.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-methyl-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-methyl-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole
PubChem CID15380219
Molecular FormulaC18H14F4N2S
Molecular Weight366.38 g/mol
Exact Mass366.08
IUPAC Name4-(4-fluorophenyl)-1-methyl-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole
SMILESCSc1ccc(-c2nn(C)c(C(F)(F)F)c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H14F4N2S/c1-24-17(18(20,21)22)15(11-3-7-13(19)8-4-11)16(23-24)12-5-9-14(25-2)10-6-12/h3-10H,1-2H3
InChIKeyUHIWLXHJLVPIGS-UHFFFAOYSA-N
XLogP5.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.38
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-methyl-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4-(4-fluorophenyl)-1-methyl-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole (CID 15380219) is 4-(4-fluorophenyl)-1-methyl-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-(4-fluorophenyl)-1-methyl-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-(4-fluorophenyl)-1-methyl-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole is CSc1ccc(-c2nn(C)c(C(F)(F)F)c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1-methyl-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole?
The InChIKey is UHIWLXHJLVPIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2S/c1-24-17(18(20,21)22)15(11-3-7-13(19)8-4-11)16(23-24)12-5-9-14(25-2)10-6-12/h3-10H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-1-methyl-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole?
4-(4-fluorophenyl)-1-methyl-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole has a molecular weight of 366.38 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-methyl-3-(4-methylsulfanylphenyl)-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 15380219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).