3-(4-methoxyphenyl)-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole

C15H11F3N2OS — CID 140579491

IUPAC3-(4-methoxyphenyl)-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole
SMILESCOc1ccc(-c2cc(-c3cccs3)n(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H11F3N2OS/c1-21-11-6-4-10(5-7-11)12-9-13(14-3-2-8-22-14)20(19-12)15(16,17)18/h2-9H,1H3
InChIKeyRKTMOPZEOVZPIU-UHFFFAOYSA-N
MW324.33 g/mol
LogP4.76
Rot. Bonds3

About 3-(4-methoxyphenyl)-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole

3-(4-methoxyphenyl)-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole (PubChem CID 140579491) has the molecular formula C15H11F3N2OS and a molecular weight of 324.33 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole
PubChem CID140579491
Molecular FormulaC15H11F3N2OS
Molecular Weight324.33 g/mol
Exact Mass324.05
IUPAC Name3-(4-methoxyphenyl)-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole
SMILESCOc1ccc(-c2cc(-c3cccs3)n(C(F)(F)F)n2)cc1
InChIInChI=1S/C15H11F3N2OS/c1-21-11-6-4-10(5-7-11)12-9-13(14-3-2-8-22-14)20(19-12)15(16,17)18/h2-9H,1H3
InChIKeyRKTMOPZEOVZPIU-UHFFFAOYSA-N
XLogP4.76
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole (CID 140579491) is 3-(4-methoxyphenyl)-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole is COc1ccc(-c2cc(-c3cccs3)n(C(F)(F)F)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole?
The InChIKey is RKTMOPZEOVZPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2OS/c1-21-11-6-4-10(5-7-11)12-9-13(14-3-2-8-22-14)20(19-12)15(16,17)18/h2-9H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole?
3-(4-methoxyphenyl)-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole has a molecular weight of 324.33 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-thiophen-2-yl-1-(trifluoromethyl)pyrazole is sourced from PubChem (CID 140579491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).