3-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;4-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-3-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]benzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-2-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide

C147H146F6N18O15 — CID 160637277

About 3-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;4-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-3-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]benzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-2-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide

3-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;4-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-3-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]benzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-2-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide (PubChem CID 160637277) has the molecular formula C147H146F6N18O15 and a molecular weight of 2518.88 g/mol. Its IUPAC name is 3-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;4-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-3-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]benzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-2-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide.

Molecular Properties

• Compound Name: 3-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;4-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-3-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]benzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-2-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide
• PubChem CID: 160637277
• Molecular Formula: C147H146F6N18O15
• Molecular Weight: 2518.88 g/mol
• Exact Mass: 2517.11
• IUPAC Name: 3-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;4-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-3-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]benzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-2-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide
• SMILES: CNC(=O)c1cc(C(C)n2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)cc3)c2C)ccn1.CNC(=O)c1cccc(C(C)n2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)cc3)c2C)c1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccccc4)cc3)c2C)c1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccccn4)cc3)c2C)c1.Cc1nn(Cc2cccc(C(N)=O)c2)c(C)c1CC(=O)c1ccc(COc2cccnc2)cc1
• InChI: InChI=1S/C32H32F3N3O3.C31H31F3N4O3.C29H29N3O3.C28H28N4O3.C27H26N4O3/c1-19-15-27(32(33,34)35)13-14-30(19)41-18-23-9-11-24(12-10-23)29(39)17-28-20(2)37-38(22(28)4)21(3)25-7-6-8-26(16-25)31(40)36-5;1-18-14-25(31(32,33)34)10-11-29(18)41-17-22-6-8-23(9-7-22)28(39)16-26-19(2)37-38(21(26)4)20(3)24-12-13-36-27(15-24)30(40)35-5;1-20-27(21(2)32(31-20)18-23-8-7-9-25(16-23)29(34)30-3)17-28(33)24-14-12-22(13-15-24)19-35-26-10-5-4-6-11-26;1-19-25(20(2)32(31-19)17-22-7-6-8-24(15-22)28(34)29-3)16-26(33)23-12-10-21(11-13-23)18-35-27-9-4-5-14-30-27;1-18-25(19(2)31(30-18)16-21-5-3-6-23(13-21)27(28)33)14-26(32)22-10-8-20(9-11-22)17-34-24-7-4-12-29-15-24/h6-16,21H,17-18H2,1-5H3,(H,36,40);6-15,20H,16-17H2,1-5H3,(H,35,40);4-16H,17-19H2,1-3H3,(H,30,34);4-15H,16-18H2,1-3H3,(H,29,34);3-13,15H,14,16-17H2,1-2H3,(H2,28,33)
• InChIKey: RIRWNYPVCFGRDM-UHFFFAOYSA-N
• XLogP: 26.26
• TPSA: 418.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 45
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2518.88
LogP ≤ 5	26.26
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;4-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-3-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]benzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-2-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide?

The IUPAC name of 3-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;4-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-3-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]benzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-2-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide (CID 160637277) is 3-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;4-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-3-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]benzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-2-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide.

What is the SMILES notation for 3-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;4-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-3-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]benzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-2-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide?

The canonical SMILES for 3-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;4-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-3-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]benzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-2-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide is CNC(=O)c1cc(C(C)n2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)cc3)c2C)ccn1.CNC(=O)c1cccc(C(C)n2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)cc3)c2C)c1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccccc4)cc3)c2C)c1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccccn4)cc3)c2C)c1.Cc1nn(Cc2cccc(C(N)=O)c2)c(C)c1CC(=O)c1ccc(COc2cccnc2)cc1.

What is the InChIKey of 3-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;4-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-3-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]benzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-2-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide?

The InChIKey is RIRWNYPVCFGRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F3N3O3.C31H31F3N4O3.C29H29N3O3.C28H28N4O3.C27H26N4O3/c1-19-15-27(32(33,34)35)13-14-30(19)41-18-23-9-11-24(12-10-23)29(39)17-28-20(2)37-38(22(28)4)21(3)25-7-6-8-26(16-25)31(40)36-5;1-18-14-25(31(32,33)34)10-11-29(18)41-17-22-6-8-23(9-7-22)28(39)16-26-19(2)37-38(21(26)4)20(3)24-12-13-36-27(15-24)30(40)35-5;1-20-27(21(2)32(31-20)18-23-8-7-9-25(16-23)29(34)30-3)17-28(33)24-14-12-22(13-15-24)19-35-26-10-5-4-6-11-26;1-19-25(20(2)32(31-19)17-22-7-6-8-24(15-22)28(34)29-3)16-26(33)23-12-10-21(11-13-23)18-35-27-9-4-5-14-30-27;1-18-25(19(2)31(30-18)16-21-5-3-6-23(13-21)27(28)33)14-26(32)22-10-8-20(9-11-22)17-34-24-7-4-12-29-15-24/h6-16,21H,17-18H2,1-5H3,(H,36,40);6-15,20H,16-17H2,1-5H3,(H,35,40);4-16H,17-19H2,1-3H3,(H,30,34);4-15H,16-18H2,1-3H3,(H,29,34);3-13,15H,14,16-17H2,1-2H3,(H2,28,33).

What are the key properties of 3-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;4-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-3-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]benzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-2-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide?

3-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;4-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-3-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]benzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-2-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide has a molecular weight of 2518.88 g/mol, XLogP of 26.26, 45 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;4-[1-[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]ethyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-3-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]benzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(pyridin-2-yloxymethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 160637277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).