1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]ethanone

C26H22FN3O3 — CID 60537045

About 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]ethanone

1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]ethanone (PubChem CID 60537045) has the molecular formula C26H22FN3O3 and a molecular weight of 443.48 g/mol. Its IUPAC name is 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]ethanone.

Molecular Properties

• Compound Name: 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]ethanone
• PubChem CID: 60537045
• Molecular Formula: C26H22FN3O3
• Molecular Weight: 443.48 g/mol
• Exact Mass: 443.16
• IUPAC Name: 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]ethanone
• SMILES: O=C(CNC(c1ccccc1)c1ccc(F)cc1)N1N=C(c2ccco2)CC1c1ccco1
• InChI: InChI=1S/C26H22FN3O3/c27-20-12-10-19(11-13-20)26(18-6-2-1-3-7-18)28-17-25(31)30-22(24-9-5-15-33-24)16-21(29-30)23-8-4-14-32-23/h1-15,22,26,28H,16-17H2
• InChIKey: UDFRHRBBRPOSSN-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 70.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	443.48
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]ethanone?

The IUPAC name of 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]ethanone (CID 60537045) is 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]ethanone.

What is the SMILES notation for 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]ethanone?

The canonical SMILES for 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]ethanone is O=C(CNC(c1ccccc1)c1ccc(F)cc1)N1N=C(c2ccco2)CC1c1ccco1.

What is the InChIKey of 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]ethanone?

The InChIKey is UDFRHRBBRPOSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN3O3/c27-20-12-10-19(11-13-20)26(18-6-2-1-3-7-18)28-17-25(31)30-22(24-9-5-15-33-24)16-21(29-30)23-8-4-14-32-23/h1-15,22,26,28H,16-17H2.

What are the key properties of 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]ethanone?

1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[[(4-fluorophenyl)-phenylmethyl]amino]ethanone has a molecular weight of 443.48 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 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-[[(4-fluorophenyl)-phenylmethyl]amino]ethanone is sourced from PubChem (CID 60537045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).