5-(4-methylphenyl)-1-(4-methylsulfinylphenyl)-3-(trifluoromethyl)pyrazole

C18H15F3N2OS — CID 11760273

IUPAC5-(4-methylphenyl)-1-(4-methylsulfinylphenyl)-3-(trifluoromethyl)pyrazole
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)=O)cc2)cc1
InChIInChI=1S/C18H15F3N2OS/c1-12-3-5-13(6-4-12)16-11-17(18(19,20)21)22-23(16)14-7-9-15(10-8-14)25(2)24/h3-11H,1-2H3
InChIKeyBIIFONWAUMRJCE-UHFFFAOYSA-N
MW364.39 g/mol
LogP4.60
Rot. Bonds3

About 5-(4-methylphenyl)-1-(4-methylsulfinylphenyl)-3-(trifluoromethyl)pyrazole

5-(4-methylphenyl)-1-(4-methylsulfinylphenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 11760273) has the molecular formula C18H15F3N2OS and a molecular weight of 364.39 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1-(4-methylsulfinylphenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-1-(4-methylsulfinylphenyl)-3-(trifluoromethyl)pyrazole
PubChem CID11760273
Molecular FormulaC18H15F3N2OS
Molecular Weight364.39 g/mol
Exact Mass364.09
IUPAC Name5-(4-methylphenyl)-1-(4-methylsulfinylphenyl)-3-(trifluoromethyl)pyrazole
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)=O)cc2)cc1
InChIInChI=1S/C18H15F3N2OS/c1-12-3-5-13(6-4-12)16-11-17(18(19,20)21)22-23(16)14-7-9-15(10-8-14)25(2)24/h3-11H,1-2H3
InChIKeyBIIFONWAUMRJCE-UHFFFAOYSA-N
XLogP4.60
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.39
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1-(4-methylsulfinylphenyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-(4-methylphenyl)-1-(4-methylsulfinylphenyl)-3-(trifluoromethyl)pyrazole (CID 11760273) is 5-(4-methylphenyl)-1-(4-methylsulfinylphenyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-(4-methylphenyl)-1-(4-methylsulfinylphenyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-(4-methylphenyl)-1-(4-methylsulfinylphenyl)-3-(trifluoromethyl)pyrazole is Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)=O)cc2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1-(4-methylsulfinylphenyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is BIIFONWAUMRJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2OS/c1-12-3-5-13(6-4-12)16-11-17(18(19,20)21)22-23(16)14-7-9-15(10-8-14)25(2)24/h3-11H,1-2H3.
What are the key properties of 5-(4-methylphenyl)-1-(4-methylsulfinylphenyl)-3-(trifluoromethyl)pyrazole?
5-(4-methylphenyl)-1-(4-methylsulfinylphenyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 364.39 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1-(4-methylsulfinylphenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 11760273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).