4-(1-methylpyrazol-4-yl)-N-(3-phenoxyphenyl)-1-benzofuran-7-carboxamide

C25H19N3O3 — CID 46943569

IUPAC4-(1-methylpyrazol-4-yl)-N-(3-phenoxyphenyl)-1-benzofuran-7-carboxamide
SMILESCn1cc(-c2ccc(C(=O)Nc3cccc(Oc4ccccc4)c3)c3occc23)cn1
InChIInChI=1S/C25H19N3O3/c1-28-16-17(15-26-28)21-10-11-23(24-22(21)12-13-30-24)25(29)27-18-6-5-9-20(14-18)31-19-7-3-2-4-8-19/h2-16H,1H3,(H,27,29)
InChIKeyZHXGUEICSAPTSA-UHFFFAOYSA-N
MW409.45 g/mol
LogP5.88
Rot. Bonds5

About 4-(1-methylpyrazol-4-yl)-N-(3-phenoxyphenyl)-1-benzofuran-7-carboxamide

4-(1-methylpyrazol-4-yl)-N-(3-phenoxyphenyl)-1-benzofuran-7-carboxamide (PubChem CID 46943569) has the molecular formula C25H19N3O3 and a molecular weight of 409.45 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-N-(3-phenoxyphenyl)-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-N-(3-phenoxyphenyl)-1-benzofuran-7-carboxamide
PubChem CID46943569
Molecular FormulaC25H19N3O3
Molecular Weight409.45 g/mol
Exact Mass409.14
IUPAC Name4-(1-methylpyrazol-4-yl)-N-(3-phenoxyphenyl)-1-benzofuran-7-carboxamide
SMILESCn1cc(-c2ccc(C(=O)Nc3cccc(Oc4ccccc4)c3)c3occc23)cn1
InChIInChI=1S/C25H19N3O3/c1-28-16-17(15-26-28)21-10-11-23(24-22(21)12-13-30-24)25(29)27-18-6-5-9-20(14-18)31-19-7-3-2-4-8-19/h2-16H,1H3,(H,27,29)
InChIKeyZHXGUEICSAPTSA-UHFFFAOYSA-N
XLogP5.88
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.45
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-N-(3-phenoxyphenyl)-1-benzofuran-7-carboxamide?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-N-(3-phenoxyphenyl)-1-benzofuran-7-carboxamide (CID 46943569) is 4-(1-methylpyrazol-4-yl)-N-(3-phenoxyphenyl)-1-benzofuran-7-carboxamide.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-N-(3-phenoxyphenyl)-1-benzofuran-7-carboxamide?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-N-(3-phenoxyphenyl)-1-benzofuran-7-carboxamide is Cn1cc(-c2ccc(C(=O)Nc3cccc(Oc4ccccc4)c3)c3occc23)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-N-(3-phenoxyphenyl)-1-benzofuran-7-carboxamide?
The InChIKey is ZHXGUEICSAPTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O3/c1-28-16-17(15-26-28)21-10-11-23(24-22(21)12-13-30-24)25(29)27-18-6-5-9-20(14-18)31-19-7-3-2-4-8-19/h2-16H,1H3,(H,27,29).
What are the key properties of 4-(1-methylpyrazol-4-yl)-N-(3-phenoxyphenyl)-1-benzofuran-7-carboxamide?
4-(1-methylpyrazol-4-yl)-N-(3-phenoxyphenyl)-1-benzofuran-7-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-N-(3-phenoxyphenyl)-1-benzofuran-7-carboxamide is sourced from PubChem (CID 46943569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).