[5-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone

C24H19N3O3 — CID 46934218

IUPAC[5-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
SMILESCOc1ccc(C2CC(c3cc4ccccc4o3)=NN2C(=O)c2ccncc2)cc1
InChIInChI=1S/C24H19N3O3/c1-29-19-8-6-16(7-9-19)21-15-20(23-14-18-4-2-3-5-22(18)30-23)26-27(21)24(28)17-10-12-25-13-11-17/h2-14,21H,15H2,1H3
InChIKeyMHSOMORPRBGQRC-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.83
Rot. Bonds4

About [5-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone

[5-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone (PubChem CID 46934218) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is [5-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[5-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
PubChem CID46934218
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name[5-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
SMILESCOc1ccc(C2CC(c3cc4ccccc4o3)=NN2C(=O)c2ccncc2)cc1
InChIInChI=1S/C24H19N3O3/c1-29-19-8-6-16(7-9-19)21-15-20(23-14-18-4-2-3-5-22(18)30-23)26-27(21)24(28)17-10-12-25-13-11-17/h2-14,21H,15H2,1H3
InChIKeyMHSOMORPRBGQRC-UHFFFAOYSA-N
XLogP4.83
TPSA67.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone?
The IUPAC name of [5-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone (CID 46934218) is [5-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [5-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [5-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone is COc1ccc(C2CC(c3cc4ccccc4o3)=NN2C(=O)c2ccncc2)cc1.
What is the InChIKey of [5-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone?
The InChIKey is MHSOMORPRBGQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c1-29-19-8-6-16(7-9-19)21-15-20(23-14-18-4-2-3-5-22(18)30-23)26-27(21)24(28)17-10-12-25-13-11-17/h2-14,21H,15H2,1H3.
What are the key properties of [5-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone?
[5-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone has a molecular weight of 397.43 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-benzofuran-2-yl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 46934218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).