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

C24H19N3O3 — CID 46934072

IUPAC[5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
SMILESCOc1ccccc1C1CC(c2cc3ccccc3o2)=NN1C(=O)c1ccncc1
InChIInChI=1S/C24H19N3O3/c1-29-22-9-5-3-7-18(22)20-15-19(23-14-17-6-2-4-8-21(17)30-23)26-27(20)24(28)16-10-12-25-13-11-16/h2-14,20H,15H2,1H3
InChIKeyRBOADQHTLCDRJI-UHFFFAOYSA-N
MW397.43 g/mol
LogP4.83
Rot. Bonds4

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

[5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone (PubChem CID 46934072) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is [5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
PubChem CID46934072
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name[5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone
SMILESCOc1ccccc1C1CC(c2cc3ccccc3o2)=NN1C(=O)c1ccncc1
InChIInChI=1S/C24H19N3O3/c1-29-22-9-5-3-7-18(22)20-15-19(23-14-17-6-2-4-8-21(17)30-23)26-27(20)24(28)16-10-12-25-13-11-16/h2-14,20H,15H2,1H3
InChIKeyRBOADQHTLCDRJI-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

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Frequently Asked Questions

What is the IUPAC name of [5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone?
The IUPAC name of [5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone (CID 46934072) is [5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone is COc1ccccc1C1CC(c2cc3ccccc3o2)=NN1C(=O)c1ccncc1.
What is the InChIKey of [5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone?
The InChIKey is RBOADQHTLCDRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O3/c1-29-22-9-5-3-7-18(22)20-15-19(23-14-17-6-2-4-8-21(17)30-23)26-27(20)24(28)16-10-12-25-13-11-16/h2-14,20H,15H2,1H3.
What are the key properties of [5-(1-benzofuran-2-yl)-3-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone?
[5-(1-benzofuran-2-yl)-3-(2-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-(2-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 46934072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).