3-(4,6-difluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine

C12H9F2N3O — CID 117375216

IUPAC3-(4,6-difluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2c(F)cc(F)c3ccoc23)cc1N
InChIInChI=1S/C12H9F2N3O/c1-17-10(15)5-9(16-17)11-8(14)4-7(13)6-2-3-18-12(6)11/h2-5H,15H2,1H3
InChIKeyAULOIZMGYAHSMV-UHFFFAOYSA-N
MW249.22 g/mol
LogP2.69
Rot. Bonds1

About 3-(4,6-difluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine

3-(4,6-difluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine (PubChem CID 117375216) has the molecular formula C12H9F2N3O and a molecular weight of 249.22 g/mol. Its IUPAC name is 3-(4,6-difluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4,6-difluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine
PubChem CID117375216
Molecular FormulaC12H9F2N3O
Molecular Weight249.22 g/mol
Exact Mass249.07
IUPAC Name3-(4,6-difluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2c(F)cc(F)c3ccoc23)cc1N
InChIInChI=1S/C12H9F2N3O/c1-17-10(15)5-9(16-17)11-8(14)4-7(13)6-2-3-18-12(6)11/h2-5H,15H2,1H3
InChIKeyAULOIZMGYAHSMV-UHFFFAOYSA-N
XLogP2.69
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,6-difluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(4,6-difluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine (CID 117375216) is 3-(4,6-difluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(4,6-difluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(4,6-difluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine is Cn1nc(-c2c(F)cc(F)c3ccoc23)cc1N.
What is the InChIKey of 3-(4,6-difluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine?
The InChIKey is AULOIZMGYAHSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3O/c1-17-10(15)5-9(16-17)11-8(14)4-7(13)6-2-3-18-12(6)11/h2-5H,15H2,1H3.
What are the key properties of 3-(4,6-difluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine?
3-(4,6-difluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine has a molecular weight of 249.22 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-difluoro-1-benzofuran-7-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117375216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).