4-(1-benzofuran-2-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazole

C18H10F4N2O — CID 162549670

IUPAC4-(1-benzofuran-2-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazole
SMILESFc1ccc(C(F)(F)F)cc1-n1cc(-c2cc3ccccc3o2)cn1
InChIInChI=1S/C18H10F4N2O/c19-14-6-5-13(18(20,21)22)8-15(14)24-10-12(9-23-24)17-7-11-3-1-2-4-16(11)25-17/h1-10H
InChIKeyAUONPFIBZKMXLJ-UHFFFAOYSA-N
MW346.28 g/mol
LogP5.44
Rot. Bonds2

About 4-(1-benzofuran-2-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazole

4-(1-benzofuran-2-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazole (PubChem CID 162549670) has the molecular formula C18H10F4N2O and a molecular weight of 346.28 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazole.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazole
PubChem CID162549670
Molecular FormulaC18H10F4N2O
Molecular Weight346.28 g/mol
Exact Mass346.07
IUPAC Name4-(1-benzofuran-2-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazole
SMILESFc1ccc(C(F)(F)F)cc1-n1cc(-c2cc3ccccc3o2)cn1
InChIInChI=1S/C18H10F4N2O/c19-14-6-5-13(18(20,21)22)8-15(14)24-10-12(9-23-24)17-7-11-3-1-2-4-16(11)25-17/h1-10H
InChIKeyAUONPFIBZKMXLJ-UHFFFAOYSA-N
XLogP5.44
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.28
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazole?
The IUPAC name of 4-(1-benzofuran-2-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazole (CID 162549670) is 4-(1-benzofuran-2-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazole.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazole?
The canonical SMILES for 4-(1-benzofuran-2-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazole is Fc1ccc(C(F)(F)F)cc1-n1cc(-c2cc3ccccc3o2)cn1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazole?
The InChIKey is AUONPFIBZKMXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F4N2O/c19-14-6-5-13(18(20,21)22)8-15(14)24-10-12(9-23-24)17-7-11-3-1-2-4-16(11)25-17/h1-10H.
What are the key properties of 4-(1-benzofuran-2-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazole?
4-(1-benzofuran-2-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazole has a molecular weight of 346.28 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]pyrazole is sourced from PubChem (CID 162549670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).