N-(2-pyrazol-1-ylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide

C18H15N3O2 — CID 46230669

IUPACN-(2-pyrazol-1-ylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESO=C(Nc1ccccc1-n1cccn1)c1cccc2c1OCC2
InChIInChI=1S/C18H15N3O2/c22-18(14-6-3-5-13-9-12-23-17(13)14)20-15-7-1-2-8-16(15)21-11-4-10-19-21/h1-8,10-11H,9,12H2,(H,20,22)
InChIKeyAJGWNZASJZYKCX-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.06
Rot. Bonds3

About N-(2-pyrazol-1-ylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide

N-(2-pyrazol-1-ylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 46230669) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(2-pyrazol-1-ylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-(2-pyrazol-1-ylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID46230669
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-(2-pyrazol-1-ylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESO=C(Nc1ccccc1-n1cccn1)c1cccc2c1OCC2
InChIInChI=1S/C18H15N3O2/c22-18(14-6-3-5-13-9-12-23-17(13)14)20-15-7-1-2-8-16(15)21-11-4-10-19-21/h1-8,10-11H,9,12H2,(H,20,22)
InChIKeyAJGWNZASJZYKCX-UHFFFAOYSA-N
XLogP3.06
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrazol-1-ylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-(2-pyrazol-1-ylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide (CID 46230669) is N-(2-pyrazol-1-ylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-(2-pyrazol-1-ylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-(2-pyrazol-1-ylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide is O=C(Nc1ccccc1-n1cccn1)c1cccc2c1OCC2.
What is the InChIKey of N-(2-pyrazol-1-ylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is AJGWNZASJZYKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-18(14-6-3-5-13-9-12-23-17(13)14)20-15-7-1-2-8-16(15)21-11-4-10-19-21/h1-8,10-11H,9,12H2,(H,20,22).
What are the key properties of N-(2-pyrazol-1-ylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide?
N-(2-pyrazol-1-ylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrazol-1-ylphenyl)-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 46230669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).