5-(5-fluoro-1-benzofuran-7-yl)-1H-pyrazol-3-amine

C11H8FN3O — CID 117308914

IUPAC5-(5-fluoro-1-benzofuran-7-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc(F)cc3ccoc23)[nH]n1
InChIInChI=1S/C11H8FN3O/c12-7-3-6-1-2-16-11(6)8(4-7)9-5-10(13)15-14-9/h1-5H,(H3,13,14,15)
InChIKeyQTKSOPPZMTWQQY-UHFFFAOYSA-N
MW217.20 g/mol
LogP2.54
Rot. Bonds1

About 5-(5-fluoro-1-benzofuran-7-yl)-1H-pyrazol-3-amine

5-(5-fluoro-1-benzofuran-7-yl)-1H-pyrazol-3-amine (PubChem CID 117308914) has the molecular formula C11H8FN3O and a molecular weight of 217.20 g/mol. Its IUPAC name is 5-(5-fluoro-1-benzofuran-7-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-fluoro-1-benzofuran-7-yl)-1H-pyrazol-3-amine
PubChem CID117308914
Molecular FormulaC11H8FN3O
Molecular Weight217.20 g/mol
Exact Mass217.07
IUPAC Name5-(5-fluoro-1-benzofuran-7-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc(F)cc3ccoc23)[nH]n1
InChIInChI=1S/C11H8FN3O/c12-7-3-6-1-2-16-11(6)8(4-7)9-5-10(13)15-14-9/h1-5H,(H3,13,14,15)
InChIKeyQTKSOPPZMTWQQY-UHFFFAOYSA-N
XLogP2.54
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.20
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3,5-trifluorophenyl)-1H-pyrazol-3-amine
CID 115111632
5-(3,5-difluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
CID 117322792
[3-(5-fluoro-1-benzofuran-7-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117337404
5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 64528095
2-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzaldehyde
CID 117293129
4-(5-fluoro-1-benzofuran-7-yl)-2,6-dimethyl-1,2,3,6-tetrahydropyridine
CID 141038850
5-(5-fluoro-1H-indol-2-yl)-1H-pyrazol-3-amine
CID 136985649
5-(2,3,4,5-tetrafluorophenyl)-1H-pyrazol-3-amine
CID 115111633
5-(3-bromo-2,4-difluorophenyl)-1H-pyrazol-3-amine
CID 117437317
5-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine
CID 81265191
3-(5-fluoro-1-benzofuran-7-yl)-2-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 142130952
5-(3-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine;hydrobromide
CID 117464714

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-1-benzofuran-7-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-fluoro-1-benzofuran-7-yl)-1H-pyrazol-3-amine (CID 117308914) is 5-(5-fluoro-1-benzofuran-7-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-fluoro-1-benzofuran-7-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-fluoro-1-benzofuran-7-yl)-1H-pyrazol-3-amine is Nc1cc(-c2cc(F)cc3ccoc23)[nH]n1.
What is the InChIKey of 5-(5-fluoro-1-benzofuran-7-yl)-1H-pyrazol-3-amine?
The InChIKey is QTKSOPPZMTWQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O/c12-7-3-6-1-2-16-11(6)8(4-7)9-5-10(13)15-14-9/h1-5H,(H3,13,14,15).
What are the key properties of 5-(5-fluoro-1-benzofuran-7-yl)-1H-pyrazol-3-amine?
5-(5-fluoro-1-benzofuran-7-yl)-1H-pyrazol-3-amine has a molecular weight of 217.20 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-1-benzofuran-7-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117308914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).