1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]ethanone

C24H18Cl2N4O4 — CID 60536920

About 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]ethanone

1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]ethanone (PubChem CID 60536920) has the molecular formula C24H18Cl2N4O4 and a molecular weight of 497.34 g/mol. Its IUPAC name is 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]ethanone.

Molecular Properties

• Compound Name: 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]ethanone
• PubChem CID: 60536920
• Molecular Formula: C24H18Cl2N4O4
• Molecular Weight: 497.34 g/mol
• Exact Mass: 496.07
• IUPAC Name: 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]ethanone
• SMILES: O=C(CNc1ccccc1Oc1ncc(Cl)cc1Cl)N1N=C(c2ccco2)CC1c1ccco1
• InChI: InChI=1S/C24H18Cl2N4O4/c25-15-11-16(26)24(28-13-15)34-21-6-2-1-5-17(21)27-14-23(31)30-19(22-8-4-10-33-22)12-18(29-30)20-7-3-9-32-20/h1-11,13,19,27H,12,14H2
• InChIKey: MILAZBGVVQCBNX-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 93.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	497.34
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]ethanone?

The IUPAC name of 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]ethanone (CID 60536920) is 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]ethanone.

What is the SMILES notation for 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]ethanone?

The canonical SMILES for 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]ethanone is O=C(CNc1ccccc1Oc1ncc(Cl)cc1Cl)N1N=C(c2ccco2)CC1c1ccco1.

What is the InChIKey of 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]ethanone?

The InChIKey is MILAZBGVVQCBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N4O4/c25-15-11-16(26)24(28-13-15)34-21-6-2-1-5-17(21)27-14-23(31)30-19(22-8-4-10-33-22)12-18(29-30)20-7-3-9-32-20/h1-11,13,19,27H,12,14H2.

What are the key properties of 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]ethanone?

1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]ethanone has a molecular weight of 497.34 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[2-[(3,5-dichloro-2-pyridinyl)oxy]anilino]ethanone is sourced from PubChem (CID 60536920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).