5-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-1H-pyrazole

C15H8F6N2O — CID 2805853

IUPAC5-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-1H-pyrazole
SMILESFC(F)(F)c1cc(-c2ccc(-c3ccn[nH]3)o2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H8F6N2O/c16-14(17,18)9-5-8(6-10(7-9)15(19,20)21)12-1-2-13(24-12)11-3-4-22-23-11/h1-7H,(H,22,23)
InChIKeyWXGYYWNODZSWOX-UHFFFAOYSA-N
MW346.23 g/mol
LogP5.37
Rot. Bonds2

About 5-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-1H-pyrazole

5-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-1H-pyrazole (PubChem CID 2805853) has the molecular formula C15H8F6N2O and a molecular weight of 346.23 g/mol. Its IUPAC name is 5-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-1H-pyrazole.

Molecular Properties

Compound Name5-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-1H-pyrazole
PubChem CID2805853
Molecular FormulaC15H8F6N2O
Molecular Weight346.23 g/mol
Exact Mass346.05
IUPAC Name5-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-1H-pyrazole
SMILESFC(F)(F)c1cc(-c2ccc(-c3ccn[nH]3)o2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H8F6N2O/c16-14(17,18)9-5-8(6-10(7-9)15(19,20)21)12-1-2-13(24-12)11-3-4-22-23-11/h1-7H,(H,22,23)
InChIKeyWXGYYWNODZSWOX-UHFFFAOYSA-N
XLogP5.37
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.23
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-1H-pyrazole?
The IUPAC name of 5-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-1H-pyrazole (CID 2805853) is 5-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-1H-pyrazole.
What is the SMILES notation for 5-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-1H-pyrazole?
The canonical SMILES for 5-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-1H-pyrazole is FC(F)(F)c1cc(-c2ccc(-c3ccn[nH]3)o2)cc(C(F)(F)F)c1.
What is the InChIKey of 5-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-1H-pyrazole?
The InChIKey is WXGYYWNODZSWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F6N2O/c16-14(17,18)9-5-8(6-10(7-9)15(19,20)21)12-1-2-13(24-12)11-3-4-22-23-11/h1-7H,(H,22,23).
What are the key properties of 5-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-1H-pyrazole?
5-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-1H-pyrazole has a molecular weight of 346.23 g/mol, XLogP of 5.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[3,5-bis(trifluoromethyl)phenyl]furan-2-yl]-1H-pyrazole is sourced from PubChem (CID 2805853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).