3-[(dimethylamino)methyl]-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-benzofuran-2-carboxamide

C18H22N4O2 — CID 166250211

IUPAC3-[(dimethylamino)methyl]-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCC(NC(=O)c1oc2ccccc2c1CN(C)C)c1ccnn1C
InChIInChI=1S/C18H22N4O2/c1-12(15-9-10-19-22(15)4)20-18(23)17-14(11-21(2)3)13-7-5-6-8-16(13)24-17/h5-10,12H,11H2,1-4H3,(H,20,23)
InChIKeyHRVYPUXEXUCQSD-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.72
Rot. Bonds5

About 3-[(dimethylamino)methyl]-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-benzofuran-2-carboxamide

3-[(dimethylamino)methyl]-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 166250211) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID166250211
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-[(dimethylamino)methyl]-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESCC(NC(=O)c1oc2ccccc2c1CN(C)C)c1ccnn1C
InChIInChI=1S/C18H22N4O2/c1-12(15-9-10-19-22(15)4)20-18(23)17-14(11-21(2)3)13-7-5-6-8-16(13)24-17/h5-10,12H,11H2,1-4H3,(H,20,23)
InChIKeyHRVYPUXEXUCQSD-UHFFFAOYSA-N
XLogP2.72
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(dimethylamino)methyl]-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-benzofuran-2-carboxamide (CID 166250211) is 3-[(dimethylamino)methyl]-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(dimethylamino)methyl]-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(dimethylamino)methyl]-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-benzofuran-2-carboxamide is CC(NC(=O)c1oc2ccccc2c1CN(C)C)c1ccnn1C.
What is the InChIKey of 3-[(dimethylamino)methyl]-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is HRVYPUXEXUCQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12(15-9-10-19-22(15)4)20-18(23)17-14(11-21(2)3)13-7-5-6-8-16(13)24-17/h5-10,12H,11H2,1-4H3,(H,20,23).
What are the key properties of 3-[(dimethylamino)methyl]-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-benzofuran-2-carboxamide?
3-[(dimethylamino)methyl]-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]-N-[1-(2-methylpyrazol-3-yl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 166250211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).