N-benzyl-3-(2-methylpyrazol-3-yl)-1-benzofuran-7-carboxamide

C20H17N3O2 — CID 46942436

IUPACN-benzyl-3-(2-methylpyrazol-3-yl)-1-benzofuran-7-carboxamide
SMILESCn1nccc1-c1coc2c(C(=O)NCc3ccccc3)cccc12
InChIInChI=1S/C20H17N3O2/c1-23-18(10-11-22-23)17-13-25-19-15(17)8-5-9-16(19)20(24)21-12-14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H,21,24)
InChIKeyKAYBTYUVNBVFMS-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.76
Rot. Bonds4

About N-benzyl-3-(2-methylpyrazol-3-yl)-1-benzofuran-7-carboxamide

N-benzyl-3-(2-methylpyrazol-3-yl)-1-benzofuran-7-carboxamide (PubChem CID 46942436) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-benzyl-3-(2-methylpyrazol-3-yl)-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(2-methylpyrazol-3-yl)-1-benzofuran-7-carboxamide
PubChem CID46942436
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-benzyl-3-(2-methylpyrazol-3-yl)-1-benzofuran-7-carboxamide
SMILESCn1nccc1-c1coc2c(C(=O)NCc3ccccc3)cccc12
InChIInChI=1S/C20H17N3O2/c1-23-18(10-11-22-23)17-13-25-19-15(17)8-5-9-16(19)20(24)21-12-14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H,21,24)
InChIKeyKAYBTYUVNBVFMS-UHFFFAOYSA-N
XLogP3.76
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-methylpyrazol-3-yl)-1-benzofuran-7-carboxamide?
The IUPAC name of N-benzyl-3-(2-methylpyrazol-3-yl)-1-benzofuran-7-carboxamide (CID 46942436) is N-benzyl-3-(2-methylpyrazol-3-yl)-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-benzyl-3-(2-methylpyrazol-3-yl)-1-benzofuran-7-carboxamide?
The canonical SMILES for N-benzyl-3-(2-methylpyrazol-3-yl)-1-benzofuran-7-carboxamide is Cn1nccc1-c1coc2c(C(=O)NCc3ccccc3)cccc12.
What is the InChIKey of N-benzyl-3-(2-methylpyrazol-3-yl)-1-benzofuran-7-carboxamide?
The InChIKey is KAYBTYUVNBVFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-23-18(10-11-22-23)17-13-25-19-15(17)8-5-9-16(19)20(24)21-12-14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H,21,24).
What are the key properties of N-benzyl-3-(2-methylpyrazol-3-yl)-1-benzofuran-7-carboxamide?
N-benzyl-3-(2-methylpyrazol-3-yl)-1-benzofuran-7-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-methylpyrazol-3-yl)-1-benzofuran-7-carboxamide is sourced from PubChem (CID 46942436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).