1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone

C24H22N4O3S — CID 74656404

About 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone

1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone (PubChem CID 74656404) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone.

Molecular Properties

• Compound Name: 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone
• PubChem CID: 74656404
• Molecular Formula: C24H22N4O3S
• Molecular Weight: 446.53 g/mol
• Exact Mass: 446.14
• IUPAC Name: 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone
• SMILES: Cc1cccc(-n2ccnc2SCC(=O)N2N=C(c3ccco3)CC2c2ccco2)c1C
• InChI: InChI=1S/C24H22N4O3S/c1-16-6-3-7-19(17(16)2)27-11-10-25-24(27)32-15-23(29)28-20(22-9-5-13-31-22)14-18(26-28)21-8-4-12-30-21/h3-13,20H,14-15H2,1-2H3
• InChIKey: HPRGVHDGIDHZTA-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 76.77 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.53
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	0
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-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone?

The IUPAC name of 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone (CID 74656404) is 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone.

What is the SMILES notation for 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone?

The canonical SMILES for 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone is Cc1cccc(-n2ccnc2SCC(=O)N2N=C(c3ccco3)CC2c2ccco2)c1C.

What is the InChIKey of 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone?

The InChIKey is HPRGVHDGIDHZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-16-6-3-7-19(17(16)2)27-11-10-25-24(27)32-15-23(29)28-20(22-9-5-13-31-22)14-18(26-28)21-8-4-12-30-21/h3-13,20H,14-15H2,1-2H3.

What are the key properties of 1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone?

1-[3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone has a molecular weight of 446.53 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 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-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone is sourced from PubChem (CID 74656404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).