3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrazol-5-amine

C17H17N3O3 — CID 117496199

IUPAC3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrazol-5-amine
SMILESCOc1c2cc(C)oc2c(-c2cc(N)n(C)n2)c2cc(C)oc12
InChIInChI=1S/C17H17N3O3/c1-8-5-10-14(12-7-13(18)20(3)19-12)15-11(6-9(2)22-15)16(21-4)17(10)23-8/h5-7H,18H2,1-4H3
InChIKeyDETBQCYTIMIDQY-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.79
Rot. Bonds2

About 3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrazol-5-amine

3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrazol-5-amine (PubChem CID 117496199) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrazol-5-amine
PubChem CID117496199
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrazol-5-amine
SMILESCOc1c2cc(C)oc2c(-c2cc(N)n(C)n2)c2cc(C)oc12
InChIInChI=1S/C17H17N3O3/c1-8-5-10-14(12-7-13(18)20(3)19-12)15-11(6-9(2)22-15)16(21-4)17(10)23-8/h5-7H,18H2,1-4H3
InChIKeyDETBQCYTIMIDQY-UHFFFAOYSA-N
XLogP3.79
TPSA79.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrazol-5-amine (CID 117496199) is 3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrazol-5-amine is COc1c2cc(C)oc2c(-c2cc(N)n(C)n2)c2cc(C)oc12.
What is the InChIKey of 3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrazol-5-amine?
The InChIKey is DETBQCYTIMIDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-8-5-10-14(12-7-13(18)20(3)19-12)15-11(6-9(2)22-15)16(21-4)17(10)23-8/h5-7H,18H2,1-4H3.
What are the key properties of 3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrazol-5-amine?
3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrazol-5-amine has a molecular weight of 311.34 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117496199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).