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

C21H17N3O3 — CID 46948162

IUPACN-(3-acetylphenyl)-3-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc3c(-c4cnn(C)c4)coc23)c1
InChIInChI=1S/C21H17N3O3/c1-13(25)14-5-3-6-16(9-14)23-21(26)18-8-4-7-17-19(12-27-20(17)18)15-10-22-24(2)11-15/h3-12H,1-2H3,(H,23,26)
InChIKeyRWTOHTYZZBOZHY-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.29
Rot. Bonds4

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

N-(3-acetylphenyl)-3-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide (PubChem CID 46948162) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(3-acetylphenyl)-3-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-3-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide
PubChem CID46948162
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC NameN-(3-acetylphenyl)-3-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cccc3c(-c4cnn(C)c4)coc23)c1
InChIInChI=1S/C21H17N3O3/c1-13(25)14-5-3-6-16(9-14)23-21(26)18-8-4-7-17-19(12-27-20(17)18)15-10-22-24(2)11-15/h3-12H,1-2H3,(H,23,26)
InChIKeyRWTOHTYZZBOZHY-UHFFFAOYSA-N
XLogP4.29
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-3-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-3-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide (CID 46948162) is N-(3-acetylphenyl)-3-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-3-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-3-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide is CC(=O)c1cccc(NC(=O)c2cccc3c(-c4cnn(C)c4)coc23)c1.
What is the InChIKey of N-(3-acetylphenyl)-3-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide?
The InChIKey is RWTOHTYZZBOZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-13(25)14-5-3-6-16(9-14)23-21(26)18-8-4-7-17-19(12-27-20(17)18)15-10-22-24(2)11-15/h3-12H,1-2H3,(H,23,26).
What are the key properties of N-(3-acetylphenyl)-3-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide?
N-(3-acetylphenyl)-3-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-3-(1-methylpyrazol-4-yl)-1-benzofuran-7-carboxamide is sourced from PubChem (CID 46948162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).