5-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine

C11H8FN3O — CID 115109809

IUPAC5-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc3cccc(F)c3o2)[nH]n1
InChIInChI=1S/C11H8FN3O/c12-7-3-1-2-6-4-9(16-11(6)7)8-5-10(13)15-14-8/h1-5H,(H3,13,14,15)
InChIKeySGGWBMMFARGXRL-UHFFFAOYSA-N
MW217.20 g/mol
LogP2.54
Rot. Bonds1

About 5-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine

5-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine (PubChem CID 115109809) has the molecular formula C11H8FN3O and a molecular weight of 217.20 g/mol. Its IUPAC name is 5-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine
PubChem CID115109809
Molecular FormulaC11H8FN3O
Molecular Weight217.20 g/mol
Exact Mass217.07
IUPAC Name5-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc3cccc(F)c3o2)[nH]n1
InChIInChI=1S/C11H8FN3O/c12-7-3-1-2-6-4-9(16-11(6)7)8-5-10(13)15-14-8/h1-5H,(H3,13,14,15)
InChIKeySGGWBMMFARGXRL-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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Frequently Asked Questions

What is the IUPAC name of 5-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine (CID 115109809) is 5-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine is Nc1cc(-c2cc3cccc(F)c3o2)[nH]n1.
What is the InChIKey of 5-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine?
The InChIKey is SGGWBMMFARGXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O/c12-7-3-1-2-6-4-9(16-11(6)7)8-5-10(13)15-14-8/h1-5H,(H3,13,14,15).
What are the key properties of 5-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine?
5-(7-fluoro-1-benzofuran-2-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-(7-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 115109809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).