5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-3-[3-[1-(2,2,2-triphenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-oxadiazole

C41H31F3N8O2 — CID 151028769

About 5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-3-[3-[1-(2,2,2-triphenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-oxadiazole

5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-3-[3-[1-(2,2,2-triphenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-oxadiazole (PubChem CID 151028769) has the molecular formula C41H31F3N8O2 and a molecular weight of 724.75 g/mol. Its IUPAC name is 5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-3-[3-[1-(2,2,2-triphenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-3-[3-[1-(2,2,2-triphenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-oxadiazole
• PubChem CID: 151028769
• Molecular Formula: C41H31F3N8O2
• Molecular Weight: 724.75 g/mol
• Exact Mass: 724.25
• IUPAC Name: 5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-3-[3-[1-(2,2,2-triphenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-oxadiazole
• SMILES: Cn1ncc(-c2nc(-c3cccc(-c4ncn(CC(c5ccccc5)(c5ccccc5)c5ccccc5)n4)c3)no2)c1COc1ccc(C(F)(F)F)cn1
• InChI: InChI=1S/C41H31F3N8O2/c1-51-35(25-53-36-21-20-33(23-45-36)41(42,43)44)34(24-47-51)39-48-38(50-54-39)29-13-11-12-28(22-29)37-46-27-52(49-37)26-40(30-14-5-2-6-15-30,31-16-7-3-8-17-31)32-18-9-4-10-19-32/h2-24,27H,25-26H2,1H3
• InChIKey: LZPNSCPJUYRZQX-UHFFFAOYSA-N
• XLogP: 8.42
• TPSA: 109.57 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.75
LogP ≤ 5	8.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-3-[3-[1-(2,2,2-triphenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-oxadiazole?

The IUPAC name of 5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-3-[3-[1-(2,2,2-triphenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-oxadiazole (CID 151028769) is 5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-3-[3-[1-(2,2,2-triphenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-oxadiazole.

What is the SMILES notation for 5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-3-[3-[1-(2,2,2-triphenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-oxadiazole?

The canonical SMILES for 5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-3-[3-[1-(2,2,2-triphenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-oxadiazole is Cn1ncc(-c2nc(-c3cccc(-c4ncn(CC(c5ccccc5)(c5ccccc5)c5ccccc5)n4)c3)no2)c1COc1ccc(C(F)(F)F)cn1.

What is the InChIKey of 5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-3-[3-[1-(2,2,2-triphenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-oxadiazole?

The InChIKey is LZPNSCPJUYRZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H31F3N8O2/c1-51-35(25-53-36-21-20-33(23-45-36)41(42,43)44)34(24-47-51)39-48-38(50-54-39)29-13-11-12-28(22-29)37-46-27-52(49-37)26-40(30-14-5-2-6-15-30,31-16-7-3-8-17-31)32-18-9-4-10-19-32/h2-24,27H,25-26H2,1H3.

What are the key properties of 5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-3-[3-[1-(2,2,2-triphenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-oxadiazole?

5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-3-[3-[1-(2,2,2-triphenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-oxadiazole has a molecular weight of 724.75 g/mol, XLogP of 8.42, 11 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-methyl-5-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]pyrazol-4-yl]-3-[3-[1-(2,2,2-triphenylethyl)-1,2,4-triazol-3-yl]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 151028769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).