2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide

C26H24F3N3O3 — CID 55807038

About 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide

2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide (PubChem CID 55807038) has the molecular formula C26H24F3N3O3 and a molecular weight of 483.49 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide
• PubChem CID: 55807038
• Molecular Formula: C26H24F3N3O3
• Molecular Weight: 483.49 g/mol
• Exact Mass: 483.18
• IUPAC Name: 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide
• SMILES: Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)Nc1cccc(COCc2ccco2)c1
• InChI: InChI=1S/C26H24F3N3O3/c1-17-24(18(2)32(31-17)22-9-4-7-20(13-22)26(27,28)29)14-25(33)30-21-8-3-6-19(12-21)15-34-16-23-10-5-11-35-23/h3-13H,14-16H2,1-2H3,(H,30,33)
• InChIKey: GVTVBHKKYUPKSQ-UHFFFAOYSA-N
• XLogP: 6.00
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.49
LogP ≤ 5	6.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide?

The IUPAC name of 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide (CID 55807038) is 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide.

What is the SMILES notation for 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide?

The canonical SMILES for 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide is Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CC(=O)Nc1cccc(COCc2ccco2)c1.

What is the InChIKey of 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide?

The InChIKey is GVTVBHKKYUPKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O3/c1-17-24(18(2)32(31-17)22-9-4-7-20(13-22)26(27,28)29)14-25(33)30-21-8-3-6-19(12-21)15-34-16-23-10-5-11-35-23/h3-13H,14-16H2,1-2H3,(H,30,33).

What are the key properties of 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide?

2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide has a molecular weight of 483.49 g/mol, XLogP of 6.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-[3-(furan-2-ylmethoxymethyl)phenyl]acetamide is sourced from PubChem (CID 55807038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).