3-(furan-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole

C14H9F3N2O — CID 11011312

IUPAC3-(furan-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)13-9-11(12-7-4-8-20-12)18-19(13)10-5-2-1-3-6-10/h1-9H
InChIKeySATFCBFOGKJSDR-UHFFFAOYSA-N
MW278.23 g/mol
LogP4.15
Rot. Bonds2

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

3-(furan-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole (PubChem CID 11011312) has the molecular formula C14H9F3N2O and a molecular weight of 278.23 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name3-(furan-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole
PubChem CID11011312
Molecular FormulaC14H9F3N2O
Molecular Weight278.23 g/mol
Exact Mass278.07
IUPAC Name3-(furan-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole
SMILESFC(F)(F)c1cc(-c2ccco2)nn1-c1ccccc1
InChIInChI=1S/C14H9F3N2O/c15-14(16,17)13-9-11(12-7-4-8-20-12)18-19(13)10-5-2-1-3-6-10/h1-9H
InChIKeySATFCBFOGKJSDR-UHFFFAOYSA-N
XLogP4.15
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 3-(furan-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole (CID 11011312) is 3-(furan-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 3-(furan-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 3-(furan-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole is FC(F)(F)c1cc(-c2ccco2)nn1-c1ccccc1.
What is the InChIKey of 3-(furan-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole?
The InChIKey is SATFCBFOGKJSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2O/c15-14(16,17)13-9-11(12-7-4-8-20-12)18-19(13)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 3-(furan-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole?
3-(furan-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole has a molecular weight of 278.23 g/mol, XLogP of 4.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-phenyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 11011312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).