3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one

C242H230F24N26O24 — CID 157066093

IUPAC3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4)cc3)c2C)c1.CC(=O)Cc1cccc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)cc3)c2C)c1.CNC(=O)c1cc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4)cc3)c2C)ccn1.CNC(=O)c1cc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)cc3)c2C)ccn1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4)cc3)c2C)c1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4)cc3)c2C)n1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)cc3)c2C)c1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)cc3)c2C)n1
InChIInChI=1S/C32H31F3N2O3.C31H30F3N3O3.C31H29F3N2O3.2C30H29F3N4O3.C30H28F3N3O3.2C29H27F3N4O3/c1-20-14-28(32(33,34)35)12-13-31(20)40-19-24-8-10-27(11-9-24)30(39)17-29-22(3)36-37(23(29)4)18-26-7-5-6-25(16-26)15-21(2)38;1-19-14-26(31(32,33)34)12-13-29(19)40-18-22-8-10-24(11-9-22)28(38)16-27-20(2)36-37(21(27)3)17-23-6-5-7-25(15-23)30(39)35-4;1-20(37)15-24-5-4-6-25(16-24)18-36-22(3)29(21(2)35-36)17-30(38)26-9-7-23(8-10-26)19-39-28-13-11-27(12-14-28)31(32,33)34;1-18-13-24(30(31,32)33)9-10-28(18)40-17-21-5-7-23(8-6-21)27(38)15-25-19(2)36-37(20(25)3)16-22-11-12-35-26(14-22)29(39)34-4;1-18-14-23(30(31,32)33)12-13-28(18)40-17-21-8-10-22(11-9-21)27(38)15-25-19(2)36-37(20(25)3)16-24-6-5-7-26(35-24)29(39)34-4;1-19-27(20(2)36(35-19)17-22-5-4-6-24(15-22)29(38)34-3)16-28(37)23-9-7-21(8-10-23)18-39-26-13-11-25(12-14-26)30(31,32)33;1-18-25(19(2)36(35-18)16-21-12-13-34-26(14-21)28(38)33-3)15-27(37)22-6-4-20(5-7-22)17-39-24-10-8-23(9-11-24)29(30,31)32;1-18-25(19(2)36(35-18)16-23-5-4-6-26(34-23)28(38)33-3)15-27(37)21-9-7-20(8-10-21)17-39-24-13-11-22(12-14-24)29(30,31)32/h5-14,16H,15,17-19H2,1-4H3;5-15H,16-18H2,1-4H3,(H,35,39);4-14,16H,15,17-19H2,1-3H3;2*5-14H,15-17H2,1-4H3,(H,34,39);4-15H,16-18H2,1-3H3,(H,34,38);2*4-14H,15-17H2,1-3H3,(H,33,38)
InChIKeyABWUGSHMDSONCB-UHFFFAOYSA-N
MW4342.61 g/mol
LogP47.81
Rot. Bonds74

About 3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one

3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one (PubChem CID 157066093) has the molecular formula C242H230F24N26O24 and a molecular weight of 4342.61 g/mol. Its IUPAC name is 3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one.

Molecular Properties

Compound Name3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one
PubChem CID157066093
Molecular FormulaC242H230F24N26O24
Molecular Weight4342.61 g/mol
Exact Mass4339.72
IUPAC Name3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one
SMILESCC(=O)Cc1cccc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4)cc3)c2C)c1.CC(=O)Cc1cccc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)cc3)c2C)c1.CNC(=O)c1cc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4)cc3)c2C)ccn1.CNC(=O)c1cc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)cc3)c2C)ccn1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4)cc3)c2C)c1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4)cc3)c2C)n1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)cc3)c2C)c1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)cc3)c2C)n1
InChIInChI=1S/C32H31F3N2O3.C31H30F3N3O3.C31H29F3N2O3.2C30H29F3N4O3.C30H28F3N3O3.2C29H27F3N4O3/c1-20-14-28(32(33,34)35)12-13-31(20)40-19-24-8-10-27(11-9-24)30(39)17-29-22(3)36-37(23(29)4)18-26-7-5-6-25(16-26)15-21(2)38;1-19-14-26(31(32,33)34)12-13-29(19)40-18-22-8-10-24(11-9-22)28(38)16-27-20(2)36-37(21(27)3)17-23-6-5-7-25(15-23)30(39)35-4;1-20(37)15-24-5-4-6-25(16-24)18-36-22(3)29(21(2)35-36)17-30(38)26-9-7-23(8-10-26)19-39-28-13-11-27(12-14-28)31(32,33)34;1-18-13-24(30(31,32)33)9-10-28(18)40-17-21-5-7-23(8-6-21)27(38)15-25-19(2)36-37(20(25)3)16-22-11-12-35-26(14-22)29(39)34-4;1-18-14-23(30(31,32)33)12-13-28(18)40-17-21-8-10-22(11-9-21)27(38)15-25-19(2)36-37(20(25)3)16-24-6-5-7-26(35-24)29(39)34-4;1-19-27(20(2)36(35-19)17-22-5-4-6-24(15-22)29(38)34-3)16-28(37)23-9-7-21(8-10-23)18-39-26-13-11-25(12-14-26)30(31,32)33;1-18-25(19(2)36(35-18)16-21-12-13-34-26(14-21)28(38)33-3)15-27(37)22-6-4-20(5-7-22)17-39-24-10-8-23(9-11-24)29(30,31)32;1-18-25(19(2)36(35-18)16-23-5-4-6-26(34-23)28(38)33-3)15-27(37)21-9-7-20(8-10-21)17-39-24-13-11-22(12-14-24)29(30,31)32/h5-14,16H,15,17-19H2,1-4H3;5-15H,16-18H2,1-4H3,(H,35,39);4-14,16H,15,17-19H2,1-3H3;2*5-14H,15-17H2,1-4H3,(H,34,39);4-15H,16-18H2,1-3H3,(H,34,38);2*4-14H,15-17H2,1-3H3,(H,33,38)
InChIKeyABWUGSHMDSONCB-UHFFFAOYSA-N
XLogP47.81
TPSA613.26 Ų
H-Bond Donors6
H-Bond Acceptors44
Rotatable Bonds74
Heavy Atoms316
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004342.61
LogP ≤ 547.81
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1044

Analyze 3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one?
The IUPAC name of 3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one (CID 157066093) is 3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one.
What is the SMILES notation for 3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one?
The canonical SMILES for 3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one is CC(=O)Cc1cccc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4)cc3)c2C)c1.CC(=O)Cc1cccc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)cc3)c2C)c1.CNC(=O)c1cc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4)cc3)c2C)ccn1.CNC(=O)c1cc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)cc3)c2C)ccn1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4)cc3)c2C)c1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4)cc3)c2C)n1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)cc3)c2C)c1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)cc3)c2C)n1.
What is the InChIKey of 3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one?
The InChIKey is ABWUGSHMDSONCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F3N2O3.C31H30F3N3O3.C31H29F3N2O3.2C30H29F3N4O3.C30H28F3N3O3.2C29H27F3N4O3/c1-20-14-28(32(33,34)35)12-13-31(20)40-19-24-8-10-27(11-9-24)30(39)17-29-22(3)36-37(23(29)4)18-26-7-5-6-25(16-26)15-21(2)38;1-19-14-26(31(32,33)34)12-13-29(19)40-18-22-8-10-24(11-9-22)28(38)16-27-20(2)36-37(21(27)3)17-23-6-5-7-25(15-23)30(39)35-4;1-20(37)15-24-5-4-6-25(16-24)18-36-22(3)29(21(2)35-36)17-30(38)26-9-7-23(8-10-26)19-39-28-13-11-27(12-14-28)31(32,33)34;1-18-13-24(30(31,32)33)9-10-28(18)40-17-21-5-7-23(8-6-21)27(38)15-25-19(2)36-37(20(25)3)16-22-11-12-35-26(14-22)29(39)34-4;1-18-14-23(30(31,32)33)12-13-28(18)40-17-21-8-10-22(11-9-21)27(38)15-25-19(2)36-37(20(25)3)16-24-6-5-7-26(35-24)29(39)34-4;1-19-27(20(2)36(35-19)17-22-5-4-6-24(15-22)29(38)34-3)16-28(37)23-9-7-21(8-10-23)18-39-26-13-11-25(12-14-26)30(31,32)33;1-18-25(19(2)36(35-18)16-21-12-13-34-26(14-21)28(38)33-3)15-27(37)22-6-4-20(5-7-22)17-39-24-10-8-23(9-11-24)29(30,31)32;1-18-25(19(2)36(35-18)16-23-5-4-6-26(34-23)28(38)33-3)15-27(37)21-9-7-20(8-10-21)17-39-24-13-11-22(12-14-24)29(30,31)32/h5-14,16H,15,17-19H2,1-4H3;5-15H,16-18H2,1-4H3,(H,35,39);4-14,16H,15,17-19H2,1-3H3;2*5-14H,15-17H2,1-4H3,(H,34,39);4-15H,16-18H2,1-3H3,(H,34,38);2*4-14H,15-17H2,1-3H3,(H,33,38).
What are the key properties of 3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one?
3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one has a molecular weight of 4342.61 g/mol, XLogP of 47.81, 74 rotatable bonds, 6 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;6-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;1-[3-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]phenyl]propan-2-one is sourced from PubChem (CID 157066093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).