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

C18H14F4N2S — CID 19355628

IUPAC4-(4-fluorophenyl)-1-methyl-5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazole
SMILESCSc1ccc(-c2c(-c3ccc(F)cc3)c(C(F)(F)F)nn2C)cc1
InChIInChI=1S/C18H14F4N2S/c1-24-16(12-5-9-14(25-2)10-6-12)15(17(23-24)18(20,21)22)11-3-7-13(19)8-4-11/h3-10H,1-2H3
InChIKeyFKRJYUQESWUSKD-UHFFFAOYSA-N
MW366.38 g/mol
LogP5.63
Rot. Bonds3

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

4-(4-fluorophenyl)-1-methyl-5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 19355628) has the molecular formula C18H14F4N2S and a molecular weight of 366.38 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-methyl-5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-methyl-5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazole
PubChem CID19355628
Molecular FormulaC18H14F4N2S
Molecular Weight366.38 g/mol
Exact Mass366.08
IUPAC Name4-(4-fluorophenyl)-1-methyl-5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazole
SMILESCSc1ccc(-c2c(-c3ccc(F)cc3)c(C(F)(F)F)nn2C)cc1
InChIInChI=1S/C18H14F4N2S/c1-24-16(12-5-9-14(25-2)10-6-12)15(17(23-24)18(20,21)22)11-3-7-13(19)8-4-11/h3-10H,1-2H3
InChIKeyFKRJYUQESWUSKD-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-5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 4-(4-fluorophenyl)-1-methyl-5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazole (CID 19355628) is 4-(4-fluorophenyl)-1-methyl-5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-(4-fluorophenyl)-1-methyl-5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-(4-fluorophenyl)-1-methyl-5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazole is CSc1ccc(-c2c(-c3ccc(F)cc3)c(C(F)(F)F)nn2C)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-1-methyl-5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is FKRJYUQESWUSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2S/c1-24-16(12-5-9-14(25-2)10-6-12)15(17(23-24)18(20,21)22)11-3-7-13(19)8-4-11/h3-10H,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-1-methyl-5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazole?
4-(4-fluorophenyl)-1-methyl-5-(4-methylsulfanylphenyl)-3-(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-5-(4-methylsulfanylphenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 19355628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).