About 1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[2-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-3-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[2-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-3-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 163983761) has the molecular formula C160H167Cl4F9N32O19
and a molecular weight of 3155.09 g/mol. Its IUPAC name is 1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[2-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-3-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.
Frequently Asked Questions
What is the IUPAC name of 1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[2-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-3-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The IUPAC name of 1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[2-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-3-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (CID 163983761) is 1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[2-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-3-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[2-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-3-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[2-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-3-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CC3CN(CCc4cc(N5CCOCC5)cc(C(F)(F)F)c4)CC3C2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cc(Cl)cc(Oc4ccc(Cl)cc4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3C)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C(N)=O)c(C(F)(F)F)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4cccnc4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4ccccc4Cl)C[C@H]3C2)n1.CC(=O)c1nn(C(=O)N2CC3CN(Cc4ccc(-c5cnc6ccccn56)cc4C(F)(F)F)CC3C2)cc1Cl.
What is the InChIKey of 1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[2-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-3-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The InChIKey is TUNFTENSHKUFEO-MPVCHTMHSA-N. The full InChI is InChI=1S/C27H24ClF3N6O2.C25H30F3N5O3.C24H26N4O2.C23H22Cl2N4O3.C22H23N5O3.C20H22ClN3O3.C19H20F3N5O3/c1-16(38)25-22(28)15-37(33-25)26(39)35-13-19-11-34(12-20(19)14-35)10-18-6-5-17(8-21(18)27(29,30)31)23-9-32-24-4-2-3-7-36(23)24;1-17(34)23-3-5-33(29-23)24(35)32-15-19-13-30(14-20(19)16-32)4-2-18-10-21(25(26,27)28)12-22(11-18)31-6-8-36-9-7-31;1-18-16-21(20-6-4-3-5-7-20)8-9-22(18)17-26-12-14-27(15-13-26)24(30)28-11-10-23(25-28)19(2)29;1-16(30)22-6-7-29(26-22)23(31)28-10-8-27(9-11-28)15-17-12-19(25)14-21(13-17)32-20-4-2-18(24)3-5-20;1-17(28)21-7-9-27(24-21)22(29)26-12-10-25(11-13-26)16-18-4-2-5-19(14-18)30-20-6-3-8-23-15-20;1-13(25)19-6-7-24(22-19)20(26)23-10-15-8-17(9-16(15)11-23)27-12-14-4-2-3-5-18(14)21;1-12(28)16-4-5-27(24-16)18(30)26-8-6-25(7-9-26)11-13-2-3-14(17(23)29)15(10-13)19(20,21)22/h2-9,15,19-20H,10-14H2,1H3;3,5,10-12,19-20H,2,4,6-9,13-16H2,1H3;3-11,16H,12-15,17H2,1-2H3;2-7,12-14H,8-11,15H2,1H3;2-9,14-15H,10-13,16H2,1H3;2-7,15-17H,8-12H2,1H3;2-5,10H,6-9,11H2,1H3,(H2,23,29)/t;;;;;15-,16+,17?;.
What are the key properties of 1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[2-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-3-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[2-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-3-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 3155.09 g/mol, XLogP of 25.62, 31 rotatable bonds, 1 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3aR,6aS)-5-[(2-chlorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-2-(trifluoromethyl)benzamide;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[[4-imidazo[1,2-a]pyridin-3-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[2-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]ethyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridin-3-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 163983761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).