About 1-[1-[(3aS,6aR)-5-[(2-chloro-5-methylphenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[methyl-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aR,6aS)-5-[methyl-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone
1-[1-[(3aS,6aR)-5-[(2-chloro-5-methylphenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[methyl-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aR,6aS)-5-[methyl-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone (PubChem CID 159326544) has the molecular formula C122H153Cl2F6N23O10
and a molecular weight of 2286.61 g/mol. Its IUPAC name is 1-[1-[(3aS,6aR)-5-[(2-chloro-5-methylphenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[methyl-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aR,6aS)-5-[methyl-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone.
Frequently Asked Questions
What is the IUPAC name of 1-[1-[(3aS,6aR)-5-[(2-chloro-5-methylphenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[methyl-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aR,6aS)-5-[methyl-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone?
The IUPAC name of 1-[1-[(3aS,6aR)-5-[(2-chloro-5-methylphenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[methyl-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aR,6aS)-5-[methyl-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone (CID 159326544) is 1-[1-[(3aS,6aR)-5-[(2-chloro-5-methylphenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[methyl-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aR,6aS)-5-[methyl-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-[(3aS,6aR)-5-[(2-chloro-5-methylphenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[methyl-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aR,6aS)-5-[methyl-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[1-[(3aS,6aR)-5-[(2-chloro-5-methylphenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[methyl-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aR,6aS)-5-[methyl-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone is CC(=O)c1cnn(C(=O)N2C[C@H]3CC(N(C)Cc4cc(C)cc(N5CCCC5)c4)C[C@H]3C2)c1.CC(=O)c1cnn(C(=O)N2C[C@H]3CC(N(C)Cc4cc(C)ccc4Cl)C[C@H]3C2)c1.CC(=O)c1cnn(C(=O)N2C[C@H]3CC(N(C)Cc4cc(Cl)ccc4C(F)(F)F)C[C@H]3C2)c1.CC(=O)c1cnn(C(=O)N2C[C@H]3CC(N(C)Cc4ccc(C)c(N5CCCC5)c4)C[C@H]3C2)c1.CC(=O)c1cnn(C(=O)N2C[C@H]3CC(N(C)Cc4ccc(N5CCCC5)cc4C(F)(F)F)C[C@H]3C2)c1.
What is the InChIKey of 1-[1-[(3aS,6aR)-5-[(2-chloro-5-methylphenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[methyl-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aR,6aS)-5-[methyl-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone?
The InChIKey is LEKZJTJUKKZNNN-WQQUBVNISA-N. The full InChI is InChI=1S/C26H32F3N5O2.2C26H35N5O2.C22H24ClF3N4O2.C22H27ClN4O2/c1-17(35)21-12-30-34(16-21)25(36)33-14-19-9-23(10-20(19)15-33)31(2)13-18-5-6-22(32-7-3-4-8-32)11-24(18)26(27,28)29;1-18-6-7-20(10-25(18)29-8-4-5-9-29)14-28(3)24-11-21-15-30(16-22(21)12-24)26(33)31-17-23(13-27-31)19(2)32;1-18-8-20(10-25(9-18)29-6-4-5-7-29)14-28(3)24-11-21-15-30(16-22(21)12-24)26(33)31-17-23(13-27-31)19(2)32;1-13(31)17-8-27-30(12-17)21(32)29-10-14-6-19(7-15(14)11-29)28(2)9-16-5-18(23)3-4-20(16)22(24,25)26;1-14-4-5-21(23)18(6-14)10-25(3)20-7-16-11-26(12-17(16)8-20)22(29)27-13-19(9-24-27)15(2)28/h5-6,11-12,16,19-20,23H,3-4,7-10,13-15H2,1-2H3;6-7,10,13,17,21-22,24H,4-5,8-9,11-12,14-16H2,1-3H3;8-10,13,17,21-22,24H,4-7,11-12,14-16H2,1-3H3;3-5,8,12,14-15,19H,6-7,9-11H2,1-2H3;4-6,9,13,16-17,20H,7-8,10-12H2,1-3H3/t19-,20+,23?;2*21-,22+,24?;14-,15+,19?;16-,17+,20?.
What are the key properties of 1-[1-[(3aS,6aR)-5-[(2-chloro-5-methylphenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[methyl-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aR,6aS)-5-[methyl-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone?
1-[1-[(3aS,6aR)-5-[(2-chloro-5-methylphenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[methyl-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aR,6aS)-5-[methyl-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone has a molecular weight of 2286.61 g/mol, XLogP of 20.55, 23 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3aS,6aR)-5-[(2-chloro-5-methylphenyl)methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl-methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[methyl-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aS,6aR)-5-[methyl-[(4-methyl-3-pyrrolidin-1-ylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone;1-[1-[(3aR,6aS)-5-[methyl-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-4-yl]ethanone is sourced from PubChem (CID 159326544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).