5-(6-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine

C11H8FN3O — CID 115109884

IUPAC5-(6-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc3ccc(F)cc3o2)[nH]n1
InChIInChI=1S/C11H8FN3O/c12-7-2-1-6-3-10(16-9(6)4-7)8-5-11(13)15-14-8/h1-5H,(H3,13,14,15)
InChIKeyAFWFWWQWXBJFKH-UHFFFAOYSA-N
MW217.20 g/mol
LogP2.54
Rot. Bonds1

About 5-(6-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine

5-(6-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine (PubChem CID 115109884) has the molecular formula C11H8FN3O and a molecular weight of 217.20 g/mol. Its IUPAC name is 5-(6-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(6-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine
PubChem CID115109884
Molecular FormulaC11H8FN3O
Molecular Weight217.20 g/mol
Exact Mass217.07
IUPAC Name5-(6-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine
SMILESNc1cc(-c2cc3ccc(F)cc3o2)[nH]n1
InChIInChI=1S/C11H8FN3O/c12-7-2-1-6-3-10(16-9(6)4-7)8-5-11(13)15-14-8/h1-5H,(H3,13,14,15)
InChIKeyAFWFWWQWXBJFKH-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

3-(furan-2-yl)-1H-pyrazol-5-amine
CID 523183
3-benzo[b]furan-2-yl-1H-pyrazole
CID 2805300
2-[5-(2-Furyl)-1H-pyrazol-3-yl]phenol
CID 614686
Pyrazolopyridazine 1o
CID 6538885
ethyl 3-(1-benzofuran-2-yl)-1H-pyrazole-5-carboxylate
CID 2408586
3-(1-benzofuran-2-yl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738016
3-(3-Methyl-1-benzofuran-2-yl)-1-phenylpyrazol-5-amine
CID 44224986
5-(3-methyl-1-benzofuran-2-yl)-1H-pyrazole-4-carbonitrile
CID 44224990
5-(furan-2-yl)-3-phenyl-1H-pyrazole
CID 835422
3-(1-benzofuran-2-yl)-1H-indazole-5-carboxamide
CID 22479843
2-(5-(2H-1,2,3,4-tetrazol-5-yl)-1H-indazole-3-yl)benzo[b]furan
CID 22479907
2-(5-(2H-1,2,3,4-tetrazol-5-yl)-1H-indazole-3-yl)furan
CID 22480144

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(6-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine (CID 115109884) is 5-(6-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(6-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(6-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine is Nc1cc(-c2cc3ccc(F)cc3o2)[nH]n1.
What is the InChIKey of 5-(6-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine?
The InChIKey is AFWFWWQWXBJFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O/c12-7-2-1-6-3-10(16-9(6)4-7)8-5-11(13)15-14-8/h1-5H,(H3,13,14,15).
What are the key properties of 5-(6-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine?
5-(6-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-(6-fluoro-1-benzofuran-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 115109884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).