5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzamide;5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one

C39H24BrF10N11O6 — CID 162243634

About 5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzamide;5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one

5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzamide;5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one (PubChem CID 162243634) has the molecular formula C39H24BrF10N11O6 and a molecular weight of 1012.58 g/mol. Its IUPAC name is 5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzamide;5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one.

Molecular Properties

• Compound Name: 5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzamide;5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one
• PubChem CID: 162243634
• Molecular Formula: C39H24BrF10N11O6
• Molecular Weight: 1012.58 g/mol
• Exact Mass: 1011.09
• IUPAC Name: 5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzamide;5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one
• SMILES: Cn1nc(-c2cc(C(F)(F)F)n(-c3ccc(Br)cn3)n2)oc1=O.Cn1nc(-c2cc(C(F)(F)F)n(-c3ccc(CC(=O)c4c(F)cccc4F)cn3)n2)oc1=O.NC(=O)c1c(F)cccc1F
• InChI: InChI=1S/C20H12F5N5O3.C12H7BrF3N5O2.C7H5F2NO/c1-29-19(32)33-18(28-29)13-8-15(20(23,24)25)30(27-13)16-6-5-10(9-26-16)7-14(31)17-11(21)3-2-4-12(17)22;1-20-11(22)23-10(19-20)7-4-8(12(14,15)16)21(18-7)9-3-2-6(13)5-17-9;8-4-2-1-3-5(9)6(4)7(10)11/h2-6,8-9H,7H2,1H3;2-5H,1H3;1-3H,(H2,10,11)
• InChIKey: ZXAOUNFLEREAKA-UHFFFAOYSA-N
• XLogP: 6.81
• TPSA: 217.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1012.58
LogP ≤ 5	6.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzamide;5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one?

The IUPAC name of 5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzamide;5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one (CID 162243634) is 5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzamide;5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one.

What is the SMILES notation for 5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzamide;5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one?

The canonical SMILES for 5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzamide;5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one is Cn1nc(-c2cc(C(F)(F)F)n(-c3ccc(Br)cn3)n2)oc1=O.Cn1nc(-c2cc(C(F)(F)F)n(-c3ccc(CC(=O)c4c(F)cccc4F)cn3)n2)oc1=O.NC(=O)c1c(F)cccc1F.

What is the InChIKey of 5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzamide;5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one?

The InChIKey is ZXAOUNFLEREAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F5N5O3.C12H7BrF3N5O2.C7H5F2NO/c1-29-19(32)33-18(28-29)13-8-15(20(23,24)25)30(27-13)16-6-5-10(9-26-16)7-14(31)17-11(21)3-2-4-12(17)22;1-20-11(22)23-10(19-20)7-4-8(12(14,15)16)21(18-7)9-3-2-6(13)5-17-9;8-4-2-1-3-5(9)6(4)7(10)11/h2-6,8-9H,7H2,1H3;2-5H,1H3;1-3H,(H2,10,11).

What are the key properties of 5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzamide;5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one?

5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzamide;5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one has a molecular weight of 1012.58 g/mol, XLogP of 6.81, 8 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-(5-bromo-2-pyridinyl)-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one;2,6-difluorobenzamide;5-[1-[5-[2-(2,6-difluorophenyl)-2-oxoethyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazol-3-yl]-3-methyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 162243634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).