2-[3-(4-fluorophenyl)-1-naphthalen-2-ylpyrazol-4-yl]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one

C26H24FN3O2S — CID 143204686

About 2-[3-(4-fluorophenyl)-1-naphthalen-2-ylpyrazol-4-yl]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one

2-[3-(4-fluorophenyl)-1-naphthalen-2-ylpyrazol-4-yl]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one (PubChem CID 143204686) has the molecular formula C26H24FN3O2S and a molecular weight of 461.56 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-1-naphthalen-2-ylpyrazol-4-yl]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 2-[3-(4-fluorophenyl)-1-naphthalen-2-ylpyrazol-4-yl]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
• PubChem CID: 143204686
• Molecular Formula: C26H24FN3O2S
• Molecular Weight: 461.56 g/mol
• Exact Mass: 461.16
• IUPAC Name: 2-[3-(4-fluorophenyl)-1-naphthalen-2-ylpyrazol-4-yl]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one
• SMILES: COCCCN1C(=O)CSC1c1cn(-c2ccc3ccccc3c2)nc1-c1ccc(F)cc1
• InChI: InChI=1S/C26H24FN3O2S/c1-32-14-4-13-29-24(31)17-33-26(29)23-16-30(28-25(23)19-7-10-21(27)11-8-19)22-12-9-18-5-2-3-6-20(18)15-22/h2-3,5-12,15-16,26H,4,13-14,17H2,1H3
• InChIKey: HWAUYVUZXUJRJI-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 47.36 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.56
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-1-naphthalen-2-ylpyrazol-4-yl]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one?

The IUPAC name of 2-[3-(4-fluorophenyl)-1-naphthalen-2-ylpyrazol-4-yl]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one (CID 143204686) is 2-[3-(4-fluorophenyl)-1-naphthalen-2-ylpyrazol-4-yl]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one.

What is the SMILES notation for 2-[3-(4-fluorophenyl)-1-naphthalen-2-ylpyrazol-4-yl]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one?

The canonical SMILES for 2-[3-(4-fluorophenyl)-1-naphthalen-2-ylpyrazol-4-yl]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one is COCCCN1C(=O)CSC1c1cn(-c2ccc3ccccc3c2)nc1-c1ccc(F)cc1.

What is the InChIKey of 2-[3-(4-fluorophenyl)-1-naphthalen-2-ylpyrazol-4-yl]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one?

The InChIKey is HWAUYVUZXUJRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2S/c1-32-14-4-13-29-24(31)17-33-26(29)23-16-30(28-25(23)19-7-10-21(27)11-8-19)22-12-9-18-5-2-3-6-20(18)15-22/h2-3,5-12,15-16,26H,4,13-14,17H2,1H3.

What are the key properties of 2-[3-(4-fluorophenyl)-1-naphthalen-2-ylpyrazol-4-yl]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one?

2-[3-(4-fluorophenyl)-1-naphthalen-2-ylpyrazol-4-yl]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one has a molecular weight of 461.56 g/mol, XLogP of 5.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4-fluorophenyl)-1-naphthalen-2-ylpyrazol-4-yl]-3-(3-methoxypropyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 143204686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).