N-[2-fluoro-3-(trifluoromethyl)phenyl]-6-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide

C20H16F7N3O3 — CID 162711435

About N-[2-fluoro-3-(trifluoromethyl)phenyl]-6-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide

N-[2-fluoro-3-(trifluoromethyl)phenyl]-6-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide (PubChem CID 162711435) has the molecular formula C20H16F7N3O3 and a molecular weight of 479.35 g/mol. Its IUPAC name is N-[2-fluoro-3-(trifluoromethyl)phenyl]-6-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-fluoro-3-(trifluoromethyl)phenyl]-6-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide
• PubChem CID: 162711435
• Molecular Formula: C20H16F7N3O3
• Molecular Weight: 479.35 g/mol
• Exact Mass: 479.11
• IUPAC Name: N-[2-fluoro-3-(trifluoromethyl)phenyl]-6-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide
• SMILES: Cn1cc(C23CC2(C(=O)Nc2cccc(C(F)(F)F)c2F)C2CC(O)C3O2)c(C(F)(F)F)n1
• InChI: InChI=1S/C20H16F7N3O3/c1-30-6-9(14(29-30)20(25,26)27)17-7-18(17,12-5-11(31)15(17)33-12)16(32)28-10-4-2-3-8(13(10)21)19(22,23)24/h2-4,6,11-12,15,31H,5,7H2,1H3,(H,28,32)
• InChIKey: WSVGTIGHHQCFSF-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 76.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.35
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-(trifluoromethyl)phenyl]-6-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide?

The IUPAC name of N-[2-fluoro-3-(trifluoromethyl)phenyl]-6-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide (CID 162711435) is N-[2-fluoro-3-(trifluoromethyl)phenyl]-6-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide.

What is the SMILES notation for N-[2-fluoro-3-(trifluoromethyl)phenyl]-6-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide?

The canonical SMILES for N-[2-fluoro-3-(trifluoromethyl)phenyl]-6-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide is Cn1cc(C23CC2(C(=O)Nc2cccc(C(F)(F)F)c2F)C2CC(O)C3O2)c(C(F)(F)F)n1.

What is the InChIKey of N-[2-fluoro-3-(trifluoromethyl)phenyl]-6-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide?

The InChIKey is WSVGTIGHHQCFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F7N3O3/c1-30-6-9(14(29-30)20(25,26)27)17-7-18(17,12-5-11(31)15(17)33-12)16(32)28-10-4-2-3-8(13(10)21)19(22,23)24/h2-4,6,11-12,15,31H,5,7H2,1H3,(H,28,32).

What are the key properties of N-[2-fluoro-3-(trifluoromethyl)phenyl]-6-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide?

N-[2-fluoro-3-(trifluoromethyl)phenyl]-6-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide has a molecular weight of 479.35 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-3-(trifluoromethyl)phenyl]-6-hydroxy-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide is sourced from PubChem (CID 162711435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).