5-[(2-prop-2-enylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-2-carboxamide

C26H22F3N3O3 — CID 19346856

About 5-[(2-prop-2-enylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-2-carboxamide

5-[(2-prop-2-enylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-2-carboxamide (PubChem CID 19346856) has the molecular formula C26H22F3N3O3 and a molecular weight of 481.47 g/mol. Its IUPAC name is 5-[(2-prop-2-enylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2-prop-2-enylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-2-carboxamide
• PubChem CID: 19346856
• Molecular Formula: C26H22F3N3O3
• Molecular Weight: 481.47 g/mol
• Exact Mass: 481.16
• IUPAC Name: 5-[(2-prop-2-enylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-2-carboxamide
• SMILES: C=CCc1ccccc1OCc1ccc(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)o1
• InChI: InChI=1S/C26H22F3N3O3/c1-2-6-19-8-3-4-10-23(19)34-17-22-11-12-24(35-22)25(33)31-21-14-30-32(16-21)15-18-7-5-9-20(13-18)26(27,28)29/h2-5,7-14,16H,1,6,15,17H2,(H,31,33)
• InChIKey: MXYYQWBWBGOZTJ-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 69.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.47
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(2-prop-2-enylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-2-carboxamide?

The IUPAC name of 5-[(2-prop-2-enylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-2-carboxamide (CID 19346856) is 5-[(2-prop-2-enylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-2-carboxamide.

What is the SMILES notation for 5-[(2-prop-2-enylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-2-carboxamide?

The canonical SMILES for 5-[(2-prop-2-enylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-2-carboxamide is C=CCc1ccccc1OCc1ccc(C(=O)Nc2cnn(Cc3cccc(C(F)(F)F)c3)c2)o1.

What is the InChIKey of 5-[(2-prop-2-enylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-2-carboxamide?

The InChIKey is MXYYQWBWBGOZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N3O3/c1-2-6-19-8-3-4-10-23(19)34-17-22-11-12-24(35-22)25(33)31-21-14-30-32(16-21)15-18-7-5-9-20(13-18)26(27,28)29/h2-5,7-14,16H,1,6,15,17H2,(H,31,33).

What are the key properties of 5-[(2-prop-2-enylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-2-carboxamide?

5-[(2-prop-2-enylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 481.47 g/mol, XLogP of 6.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-prop-2-enylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 19346856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).