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

C14H8F4N2O — CID 155676510

IUPAC1-(4-fluorophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole
SMILESFc1ccc(-n2nc(C(F)(F)F)cc2-c2ccco2)cc1
InChIInChI=1S/C14H8F4N2O/c15-9-3-5-10(6-4-9)20-11(12-2-1-7-21-12)8-13(19-20)14(16,17)18/h1-8H
InChIKeyKFFSRZUOKOHJRF-UHFFFAOYSA-N
MW296.22 g/mol
LogP4.29
Rot. Bonds2

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

1-(4-fluorophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole (PubChem CID 155676510) has the molecular formula C14H8F4N2O and a molecular weight of 296.22 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole
PubChem CID155676510
Molecular FormulaC14H8F4N2O
Molecular Weight296.22 g/mol
Exact Mass296.06
IUPAC Name1-(4-fluorophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole
SMILESFc1ccc(-n2nc(C(F)(F)F)cc2-c2ccco2)cc1
InChIInChI=1S/C14H8F4N2O/c15-9-3-5-10(6-4-9)20-11(12-2-1-7-21-12)8-13(19-20)14(16,17)18/h1-8H
InChIKeyKFFSRZUOKOHJRF-UHFFFAOYSA-N
XLogP4.29
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.22
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole?
The IUPAC name of 1-(4-fluorophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole (CID 155676510) is 1-(4-fluorophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-(4-fluorophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole is Fc1ccc(-n2nc(C(F)(F)F)cc2-c2ccco2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole?
The InChIKey is KFFSRZUOKOHJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4N2O/c15-9-3-5-10(6-4-9)20-11(12-2-1-7-21-12)8-13(19-20)14(16,17)18/h1-8H.
What are the key properties of 1-(4-fluorophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole?
1-(4-fluorophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole has a molecular weight of 296.22 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 155676510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).