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

C176H168F12N20O18 — CID 159293805

IUPAC3-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(1-phenoxyethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[1-[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Cn2nc(C)c(CC(=O)c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)c2C)ccn1.CNC(=O)c1cc(Cn2nc(C)c(CC(=O)c3ccc(Oc4ccc(C(F)(F)F)cc4C)cc3)c2C)ccn1.CNC(=O)c1cccc(C(C)n2nc(C)c(CC(=O)c3ccc(COc4ccccc4)cc3)c2C)c1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(C(C)Oc4ccccc4)cc3)c2C)c1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)c2C)c1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(Oc4ccc(C(F)(F)F)cc4C)cc3)c2C)c1
InChIInChI=1S/C30H28F3N3O3.2C30H31N3O3.C29H27F3N4O3.C29H26F3N3O3.C28H25F3N4O3/c1-18-14-24(30(31,32)33)10-13-28(18)39-25-11-8-22(9-12-25)27(37)16-26-19(2)35-36(20(26)3)17-21-6-5-7-23(15-21)29(38)34-4;1-20-28(22(3)33(32-20)21(2)25-9-8-10-26(17-25)30(35)31-4)18-29(34)24-15-13-23(14-16-24)19-36-27-11-6-5-7-12-27;1-20-28(21(2)33(32-20)19-23-9-8-10-26(17-23)30(35)31-4)18-29(34)25-15-13-24(14-16-25)22(3)36-27-11-6-5-7-12-27;1-17-13-22(29(30,31)32)7-10-27(17)39-23-8-5-21(6-9-23)26(37)15-24-18(2)35-36(19(24)3)16-20-11-12-34-25(14-20)28(38)33-4;1-18-26(19(2)35(34-18)17-20-5-4-6-22(15-20)28(37)33-3)16-27(36)21-7-11-24(12-8-21)38-25-13-9-23(10-14-25)29(30,31)32;1-17-24(18(2)35(34-17)16-19-12-13-33-25(14-19)27(37)32-3)15-26(36)20-4-8-22(9-5-20)38-23-10-6-21(7-11-23)28(29,30)31/h5-15H,16-17H2,1-4H3,(H,34,38);5-17,21H,18-19H2,1-4H3,(H,31,35);5-17,22H,18-19H2,1-4H3,(H,31,35);5-14H,15-16H2,1-4H3,(H,33,38);4-15H,16-17H2,1-3H3,(H,33,37);4-14H,15-16H2,1-3H3,(H,32,37)
InChIKeyLALQAYVVQRTQFH-UHFFFAOYSA-N
MW3079.38 g/mol
LogP34.93
Rot. Bonds50

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

3-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(1-phenoxyethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[1-[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide (PubChem CID 159293805) has the molecular formula C176H168F12N20O18 and a molecular weight of 3079.38 g/mol. Its IUPAC name is 3-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(1-phenoxyethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[1-[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(1-phenoxyethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[1-[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide
PubChem CID159293805
Molecular FormulaC176H168F12N20O18
Molecular Weight3079.38 g/mol
Exact Mass3077.27
IUPAC Name3-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(1-phenoxyethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[1-[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Cn2nc(C)c(CC(=O)c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)c2C)ccn1.CNC(=O)c1cc(Cn2nc(C)c(CC(=O)c3ccc(Oc4ccc(C(F)(F)F)cc4C)cc3)c2C)ccn1.CNC(=O)c1cccc(C(C)n2nc(C)c(CC(=O)c3ccc(COc4ccccc4)cc3)c2C)c1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(C(C)Oc4ccccc4)cc3)c2C)c1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)c2C)c1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(Oc4ccc(C(F)(F)F)cc4C)cc3)c2C)c1
InChIInChI=1S/C30H28F3N3O3.2C30H31N3O3.C29H27F3N4O3.C29H26F3N3O3.C28H25F3N4O3/c1-18-14-24(30(31,32)33)10-13-28(18)39-25-11-8-22(9-12-25)27(37)16-26-19(2)35-36(20(26)3)17-21-6-5-7-23(15-21)29(38)34-4;1-20-28(22(3)33(32-20)21(2)25-9-8-10-26(17-25)30(35)31-4)18-29(34)24-15-13-23(14-16-24)19-36-27-11-6-5-7-12-27;1-20-28(21(2)33(32-20)19-23-9-8-10-26(17-23)30(35)31-4)18-29(34)25-15-13-24(14-16-25)22(3)36-27-11-6-5-7-12-27;1-17-13-22(29(30,31)32)7-10-27(17)39-23-8-5-21(6-9-23)26(37)15-24-18(2)35-36(19(24)3)16-20-11-12-34-25(14-20)28(38)33-4;1-18-26(19(2)35(34-18)17-20-5-4-6-22(15-20)28(37)33-3)16-27(36)21-7-11-24(12-8-21)38-25-13-9-23(10-14-25)29(30,31)32;1-17-24(18(2)35(34-17)16-19-12-13-33-25(14-19)27(37)32-3)15-26(36)20-4-8-22(9-5-20)38-23-10-6-21(7-11-23)28(29,30)31/h5-15H,16-17H2,1-4H3,(H,34,38);5-17,21H,18-19H2,1-4H3,(H,31,35);5-17,22H,18-19H2,1-4H3,(H,31,35);5-14H,15-16H2,1-4H3,(H,33,38);4-15H,16-17H2,1-3H3,(H,33,37);4-14H,15-16H2,1-3H3,(H,32,37)
InChIKeyLALQAYVVQRTQFH-UHFFFAOYSA-N
XLogP34.93
TPSA465.10 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds50
Heavy Atoms226
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003079.38
LogP ≤ 534.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

Analyze 3-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(1-phenoxyethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[1-[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide 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]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(1-phenoxyethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[1-[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 3-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(1-phenoxyethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[1-[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide (CID 159293805) is 3-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(1-phenoxyethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[1-[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(1-phenoxyethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[1-[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(1-phenoxyethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[1-[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Cn2nc(C)c(CC(=O)c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)c2C)ccn1.CNC(=O)c1cc(Cn2nc(C)c(CC(=O)c3ccc(Oc4ccc(C(F)(F)F)cc4C)cc3)c2C)ccn1.CNC(=O)c1cccc(C(C)n2nc(C)c(CC(=O)c3ccc(COc4ccccc4)cc3)c2C)c1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(C(C)Oc4ccccc4)cc3)c2C)c1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)c2C)c1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(Oc4ccc(C(F)(F)F)cc4C)cc3)c2C)c1.
What is the InChIKey of 3-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(1-phenoxyethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[1-[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is LALQAYVVQRTQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N3O3.2C30H31N3O3.C29H27F3N4O3.C29H26F3N3O3.C28H25F3N4O3/c1-18-14-24(30(31,32)33)10-13-28(18)39-25-11-8-22(9-12-25)27(37)16-26-19(2)35-36(20(26)3)17-21-6-5-7-23(15-21)29(38)34-4;1-20-28(22(3)33(32-20)21(2)25-9-8-10-26(17-25)30(35)31-4)18-29(34)24-15-13-23(14-16-24)19-36-27-11-6-5-7-12-27;1-20-28(21(2)33(32-20)19-23-9-8-10-26(17-23)30(35)31-4)18-29(34)25-15-13-24(14-16-25)22(3)36-27-11-6-5-7-12-27;1-17-13-22(29(30,31)32)7-10-27(17)39-23-8-5-21(6-9-23)26(37)15-24-18(2)35-36(19(24)3)16-20-11-12-34-25(14-20)28(38)33-4;1-18-26(19(2)35(34-18)17-20-5-4-6-22(15-20)28(37)33-3)16-27(36)21-7-11-24(12-8-21)38-25-13-9-23(10-14-25)29(30,31)32;1-17-24(18(2)35(34-17)16-19-12-13-33-25(14-19)27(37)32-3)15-26(36)20-4-8-22(9-5-20)38-23-10-6-21(7-11-23)28(29,30)31/h5-15H,16-17H2,1-4H3,(H,34,38);5-17,21H,18-19H2,1-4H3,(H,31,35);5-17,22H,18-19H2,1-4H3,(H,31,35);5-14H,15-16H2,1-4H3,(H,33,38);4-15H,16-17H2,1-3H3,(H,33,37);4-14H,15-16H2,1-3H3,(H,32,37).
What are the key properties of 3-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(1-phenoxyethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[1-[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide?
3-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(1-phenoxyethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[1-[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 3079.38 g/mol, XLogP of 34.93, 50 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[4-[2-methyl-4-(trifluoromethyl)phenoxy]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-(1-phenoxyethyl)phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;3-[1-[3,5-dimethyl-4-[2-oxo-2-[4-(phenoxymethyl)phenyl]ethyl]pyrazol-1-yl]ethyl]-N-methylbenzamide;3-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-oxo-2-[4-[4-(trifluoromethyl)phenoxy]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 159293805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).