1-[1-[(3aR,6aS)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3,4-dimethylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone

C138H151ClF2N24O16 — CID 163764835

IUPAC1-[1-[(3aR,6aS)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3,4-dimethylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3F)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccn4)cc3C)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccc(C)cc4)c3)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4ccc(C)c(C)c4)C[C@H]3C2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4cccc(-c5ncccn5)c4)C[C@H]3C2)n1.CC(=O)c1nn(C(=O)N2C[C@H]3CC(OCc4cc(F)cc(Cl)c4)C[C@H]3C2)cc1C
InChIInChI=1S/C25H28N4O3.C24H25FN4O2.C24H27N5O2.C23H23N5O3.C21H23ClFN3O3.C21H25N3O3/c1-18-7-9-22(10-8-18)32-23-6-4-5-21(15-23)17-27-13-14-28(19(2)16-27)25(31)29-12-11-24(26-29)20(3)30;1-17-15-27(12-13-28(17)24(31)29-11-10-23(26-29)18(2)30)16-21-9-8-20(14-22(21)25)19-6-4-3-5-7-19;1-17-14-20(23-6-4-5-10-25-23)7-8-21(17)16-27-12-13-28(18(2)15-27)24(31)29-11-9-22(26-29)19(3)30;1-15(29)21-6-9-28(26-21)23(30)27-13-17-11-20(12-18(17)14-27)31-19-5-2-4-16(10-19)22-24-7-3-8-25-22;1-12-8-26(24-20(12)13(2)27)21(28)25-9-15-5-19(6-16(15)10-25)29-11-14-3-17(22)7-18(23)4-14;1-13-4-5-18(8-14(13)2)27-19-9-16-11-23(12-17(16)10-19)21(26)24-7-6-20(22-24)15(3)25/h4-12,15,19H,13-14,16-17H2,1-3H3;3-11,14,17H,12-13,15-16H2,1-2H3;4-11,14,18H,12-13,15-16H2,1-3H3;2-10,17-18,20H,11-14H2,1H3;3-4,7-8,15-16,19H,5-6,9-11H2,1-2H3;4-8,16-17,19H,9-12H2,1-3H3/t19-;17-;18-;17-,18+,20?;15-,16+,19?;16-,17+,19?/m010.../s1
InChIKeyMBIVTJJITZIRRM-IEQRCUHXSA-N
MW2475.33 g/mol
LogP22.90
Rot. Bonds24

About 1-[1-[(3aR,6aS)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3,4-dimethylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone

1-[1-[(3aR,6aS)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3,4-dimethylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 163764835) has the molecular formula C138H151ClF2N24O16 and a molecular weight of 2475.33 g/mol. Its IUPAC name is 1-[1-[(3aR,6aS)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3,4-dimethylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(3aR,6aS)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3,4-dimethylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
PubChem CID163764835
Molecular FormulaC138H151ClF2N24O16
Molecular Weight2475.33 g/mol
Exact Mass2473.14
IUPAC Name1-[1-[(3aR,6aS)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3,4-dimethylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3F)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccn4)cc3C)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccc(C)cc4)c3)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4ccc(C)c(C)c4)C[C@H]3C2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4cccc(-c5ncccn5)c4)C[C@H]3C2)n1.CC(=O)c1nn(C(=O)N2C[C@H]3CC(OCc4cc(F)cc(Cl)c4)C[C@H]3C2)cc1C
InChIInChI=1S/C25H28N4O3.C24H25FN4O2.C24H27N5O2.C23H23N5O3.C21H23ClFN3O3.C21H25N3O3/c1-18-7-9-22(10-8-18)32-23-6-4-5-21(15-23)17-27-13-14-28(19(2)16-27)25(31)29-12-11-24(26-29)20(3)30;1-17-15-27(12-13-28(17)24(31)29-11-10-23(26-29)18(2)30)16-21-9-8-20(14-22(21)25)19-6-4-3-5-7-19;1-17-14-20(23-6-4-5-10-25-23)7-8-21(17)16-27-12-13-28(18(2)15-27)24(31)29-11-9-22(26-29)19(3)30;1-15(29)21-6-9-28(26-21)23(30)27-13-17-11-20(12-18(17)14-27)31-19-5-2-4-16(10-19)22-24-7-3-8-25-22;1-12-8-26(24-20(12)13(2)27)21(28)25-9-15-5-19(6-16(15)10-25)29-11-14-3-17(22)7-18(23)4-14;1-13-4-5-18(8-14(13)2)27-19-9-16-11-23(12-17(16)10-19)21(26)24-7-6-20(22-24)15(3)25/h4-12,15,19H,13-14,16-17H2,1-3H3;3-11,14,17H,12-13,15-16H2,1-2H3;4-11,14,18H,12-13,15-16H2,1-3H3;2-10,17-18,20H,11-14H2,1H3;3-4,7-8,15-16,19H,5-6,9-11H2,1-2H3;4-8,16-17,19H,9-12H2,1-3H3/t19-;17-;18-;17-,18+,20?;15-,16+,19?;16-,17+,19?/m010.../s1
InChIKeyMBIVTJJITZIRRM-IEQRCUHXSA-N
XLogP22.90
TPSA416.51 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds24
Heavy Atoms181
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002475.33
LogP ≤ 522.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 1-[1-[(3aR,6aS)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3,4-dimethylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3aR,6aS)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3,4-dimethylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The IUPAC name of 1-[1-[(3aR,6aS)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3,4-dimethylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (CID 163764835) is 1-[1-[(3aR,6aS)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3,4-dimethylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(3aR,6aS)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3,4-dimethylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[1-[(3aR,6aS)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3,4-dimethylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3F)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccn4)cc3C)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ccc(C)cc4)c3)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4ccc(C)c(C)c4)C[C@H]3C2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4cccc(-c5ncccn5)c4)C[C@H]3C2)n1.CC(=O)c1nn(C(=O)N2C[C@H]3CC(OCc4cc(F)cc(Cl)c4)C[C@H]3C2)cc1C.
What is the InChIKey of 1-[1-[(3aR,6aS)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3,4-dimethylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
The InChIKey is MBIVTJJITZIRRM-IEQRCUHXSA-N. The full InChI is InChI=1S/C25H28N4O3.C24H25FN4O2.C24H27N5O2.C23H23N5O3.C21H23ClFN3O3.C21H25N3O3/c1-18-7-9-22(10-8-18)32-23-6-4-5-21(15-23)17-27-13-14-28(19(2)16-27)25(31)29-12-11-24(26-29)20(3)30;1-17-15-27(12-13-28(17)24(31)29-11-10-23(26-29)18(2)30)16-21-9-8-20(14-22(21)25)19-6-4-3-5-7-19;1-17-14-20(23-6-4-5-10-25-23)7-8-21(17)16-27-12-13-28(18(2)15-27)24(31)29-11-9-22(26-29)19(3)30;1-15(29)21-6-9-28(26-21)23(30)27-13-17-11-20(12-18(17)14-27)31-19-5-2-4-16(10-19)22-24-7-3-8-25-22;1-12-8-26(24-20(12)13(2)27)21(28)25-9-15-5-19(6-16(15)10-25)29-11-14-3-17(22)7-18(23)4-14;1-13-4-5-18(8-14(13)2)27-19-9-16-11-23(12-17(16)10-19)21(26)24-7-6-20(22-24)15(3)25/h4-12,15,19H,13-14,16-17H2,1-3H3;3-11,14,17H,12-13,15-16H2,1-2H3;4-11,14,18H,12-13,15-16H2,1-3H3;2-10,17-18,20H,11-14H2,1H3;3-4,7-8,15-16,19H,5-6,9-11H2,1-2H3;4-8,16-17,19H,9-12H2,1-3H3/t19-;17-;18-;17-,18+,20?;15-,16+,19?;16-,17+,19?/m010.../s1.
What are the key properties of 1-[1-[(3aR,6aS)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3,4-dimethylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone?
1-[1-[(3aR,6aS)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3,4-dimethylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 2475.33 g/mol, XLogP of 22.90, 24 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3aR,6aS)-5-[(3-chloro-5-fluorophenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3,4-dimethylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-fluoro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[[3-(4-methylphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[(2-methyl-4-pyridin-2-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 163764835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).