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

C15H11F3N2O2 — CID 22240519

IUPAC5-(furan-2-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccco2)cc1
InChIInChI=1S/C15H11F3N2O2/c1-21-11-6-4-10(5-7-11)20-12(13-3-2-8-22-13)9-14(19-20)15(16,17)18/h2-9H,1H3
InChIKeyYYMWXMCZWXKUTG-UHFFFAOYSA-N
MW308.26 g/mol
LogP4.16
Rot. Bonds3

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

5-(furan-2-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole (PubChem CID 22240519) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 5-(furan-2-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-(furan-2-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole
PubChem CID22240519
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC Name5-(furan-2-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole
SMILESCOc1ccc(-n2nc(C(F)(F)F)cc2-c2ccco2)cc1
InChIInChI=1S/C15H11F3N2O2/c1-21-11-6-4-10(5-7-11)20-12(13-3-2-8-22-13)9-14(19-20)15(16,17)18/h2-9H,1H3
InChIKeyYYMWXMCZWXKUTG-UHFFFAOYSA-N
XLogP4.16
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-(furan-2-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole (CID 22240519) is 5-(furan-2-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-(furan-2-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-(furan-2-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole is COc1ccc(-n2nc(C(F)(F)F)cc2-c2ccco2)cc1.
What is the InChIKey of 5-(furan-2-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole?
The InChIKey is YYMWXMCZWXKUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c1-21-11-6-4-10(5-7-11)20-12(13-3-2-8-22-13)9-14(19-20)15(16,17)18/h2-9H,1H3.
What are the key properties of 5-(furan-2-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole?
5-(furan-2-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole has a molecular weight of 308.26 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 22240519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).