1-[1-[(3aR,6aS)-5-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;bis(1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone);bis(1-[1-[4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone);1-[1-[4-[(2-hydroxy-2-methylpropyl)-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone

C184H234Cl5F3N30O32 — CID 163597843

IUPAC1-[1-[(3aR,6aS)-5-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;bis(1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone);bis(1-[1-[4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone);1-[1-[4-[(2-hydroxy-2-methylpropyl)-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CC3CN(Cc4ccc(C5(C(=O)O)CCOCC5)cc4C(F)(F)F)CC3C2)n1.CC(=O)c1ccn(C(=O)N2CCC(N(Cc3cccc(C)c3)CC(C)(C)O)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(OCC(C)(C)O)c3Cl)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(OCC(C)(C)O)c3Cl)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(OCC(C)(C)O)c3Cl)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(OCC(C)(C)O)c3Cl)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4cccc(C5CCCC5)c4)C[C@H]3C2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4cccc(OCC(C)(C)O)c4Cl)C[C@H]3C2)n1
InChIInChI=1S/C26H29F3N4O5.C25H31N3O3.C24H30ClN3O5.C23H32N4O3.2C22H29ClN4O4.2C21H27ClN4O4/c1-16(34)22-4-7-33(30-22)24(37)32-14-18-12-31(13-19(18)15-32)11-17-2-3-20(10-21(17)26(27,28)29)25(23(35)36)5-8-38-9-6-25;1-17(29)24-9-10-28(26-24)25(30)27-14-21-12-23(13-22(21)15-27)31-16-18-5-4-8-20(11-18)19-6-2-3-7-19;1-15(29)20-7-8-28(26-20)23(30)27-11-17-9-19(10-18(17)12-27)32-13-16-5-4-6-21(22(16)25)33-14-24(2,3)31;1-17-6-5-7-19(14-17)15-26(16-23(3,4)30)20-8-11-25(12-9-20)22(29)27-13-10-21(24-27)18(2)28;2*1-15-12-25(10-11-26(15)21(29)27-9-8-18(24-27)16(2)28)13-17-6-5-7-19(20(17)23)31-14-22(3,4)30;2*1-15(27)17-7-8-26(23-17)20(28)25-11-9-24(10-12-25)13-16-5-4-6-18(19(16)22)30-14-21(2,3)29/h2-4,7,10,18-19H,5-6,8-9,11-15H2,1H3,(H,35,36);4-5,8-11,19,21-23H,2-3,6-7,12-16H2,1H3;4-8,17-19,31H,9-14H2,1-3H3;5-7,10,13-14,20,30H,8-9,11-12,15-16H2,1-4H3;2*5-9,15,30H,10-14H2,1-4H3;2*4-8,29H,9-14H2,1-3H3/t;21-,22+,23?;17-,18+,19?;;2*15-;;/m....00../s1
InChIKeyGVAODCQHDXYQJF-NQUIZAJLSA-N
MW3612.33 g/mol
LogP26.27
Rot. Bonds47

About 1-[1-[(3aR,6aS)-5-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;bis(1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone);bis(1-[1-[4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone);1-[1-[4-[(2-hydroxy-2-methylpropyl)-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone

1-[1-[(3aR,6aS)-5-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;bis(1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone);bis(1-[1-[4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone);1-[1-[4-[(2-hydroxy-2-methylpropyl)-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 163597843) has the molecular formula C184H234Cl5F3N30O32 and a molecular weight of 3612.33 g/mol. Its IUPAC name is 1-[1-[(3aR,6aS)-5-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;bis(1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone);bis(1-[1-[4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone);1-[1-[4-[(2-hydroxy-2-methylpropyl)-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(3aR,6aS)-5-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;bis(1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone);bis(1-[1-[4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone);1-[1-[4-[(2-hydroxy-2-methylpropyl)-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone
PubChem CID163597843
Molecular FormulaC184H234Cl5F3N30O32
Molecular Weight3612.33 g/mol
Exact Mass3607.60
IUPAC Name1-[1-[(3aR,6aS)-5-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;bis(1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone);bis(1-[1-[4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone);1-[1-[4-[(2-hydroxy-2-methylpropyl)-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CC3CN(Cc4ccc(C5(C(=O)O)CCOCC5)cc4C(F)(F)F)CC3C2)n1.CC(=O)c1ccn(C(=O)N2CCC(N(Cc3cccc(C)c3)CC(C)(C)O)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(OCC(C)(C)O)c3Cl)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(OCC(C)(C)O)c3Cl)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(OCC(C)(C)O)c3Cl)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(OCC(C)(C)O)c3Cl)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4cccc(C5CCCC5)c4)C[C@H]3C2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4cccc(OCC(C)(C)O)c4Cl)C[C@H]3C2)n1
InChIInChI=1S/C26H29F3N4O5.C25H31N3O3.C24H30ClN3O5.C23H32N4O3.2C22H29ClN4O4.2C21H27ClN4O4/c1-16(34)22-4-7-33(30-22)24(37)32-14-18-12-31(13-19(18)15-32)11-17-2-3-20(10-21(17)26(27,28)29)25(23(35)36)5-8-38-9-6-25;1-17(29)24-9-10-28(26-24)25(30)27-14-21-12-23(13-22(21)15-27)31-16-18-5-4-8-20(11-18)19-6-2-3-7-19;1-15(29)20-7-8-28(26-20)23(30)27-11-17-9-19(10-18(17)12-27)32-13-16-5-4-6-21(22(16)25)33-14-24(2,3)31;1-17-6-5-7-19(14-17)15-26(16-23(3,4)30)20-8-11-25(12-9-20)22(29)27-13-10-21(24-27)18(2)28;2*1-15-12-25(10-11-26(15)21(29)27-9-8-18(24-27)16(2)28)13-17-6-5-7-19(20(17)23)31-14-22(3,4)30;2*1-15(27)17-7-8-26(23-17)20(28)25-11-9-24(10-12-25)13-16-5-4-6-18(19(16)22)30-14-21(2,3)29/h2-4,7,10,18-19H,5-6,8-9,11-15H2,1H3,(H,35,36);4-5,8-11,19,21-23H,2-3,6-7,12-16H2,1H3;4-8,17-19,31H,9-14H2,1-3H3;5-7,10,13-14,20,30H,8-9,11-12,15-16H2,1-4H3;2*5-9,15,30H,10-14H2,1-4H3;2*4-8,29H,9-14H2,1-3H3/t;21-,22+,23?;17-,18+,19?;;2*15-;;/m....00../s1
InChIKeyGVAODCQHDXYQJF-NQUIZAJLSA-N
XLogP26.27
TPSA693.56 Ų
H-Bond Donors7
H-Bond Acceptors53
Rotatable Bonds47
Heavy Atoms254
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003612.33
LogP ≤ 526.27
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1053

Analyze 1-[1-[(3aR,6aS)-5-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;bis(1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone);bis(1-[1-[4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone);1-[1-[4-[(2-hydroxy-2-methylpropyl)-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone with MolForge

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Related Compounds

1-[1-[(3aS,6aR)-5-(3-cyclopropylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-(2-propan-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-propan-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[9-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]pyrazol-3-yl]ethanone
CID 159868627
2-[[1-(3-acetylpyrazole-1-carbonyl)piperidin-4-yl]-[(3-methylphenyl)methyl]amino]acetic acid;1-[1-[(2R)-4-[[3-(2-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[3.5]nonane-7-carbonyl]pyrazol-3-yl]ethanone
CID 160659532
1-[1-[(3aS,6aR)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;1-[4-chloro-1-[(2S)-2-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrazol-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrazin-2-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
CID 162220284
1-[1-[(3aR,6aS)-5-[methyl-[(4-methylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;N,N-dimethyl-1-[4-[(4-methyl-2-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazole-3-carboxamide;1-[1-[2-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]propan-1-one;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[7-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane-2-carbonyl]pyrazol-3-yl]propan-1-one
CID 163506850
1-[1-[(3aS,6aR)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;1-[1-[4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[(2S)-2-methyl-4-[methyl-[(4-methyl-2-pyrrolidin-1-ylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-hydroxy-2-methylpropyl)-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrazol-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
CID 163532980
1-[1-[(3aS,6aR)-5-(3-chloro-5-fluorophenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-(3-cyclopropylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-(3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-(2-propan-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-(3-propan-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[9-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]pyrazol-3-yl]ethanone
CID 163601681
CID 163645556
CID 163645556
1-[1-[(3aR,6aS)-5-[[3-(4-chlorophenoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[2-methyl-3-(trifluoromethyl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[[3-(trifluoromethyl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-(trifluoromethyl)phenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-phenylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone
CID 163813774
1-[1-[(3aS,6aR)-5-(3-cyclopropylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-methylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-(2-propan-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-propan-2-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[9-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,9-diazaspiro[5.5]undecane-3-carbonyl]pyrazol-3-yl]ethanone
CID 163816830
CID 163922427
CID 163922427
CID 163953596
CID 163953596
1-[1-[2-[[3-(1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl)-4-chlorophenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-[methyl-[(3-phenylphenyl)methyl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-(3-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(2-chloro-4-morpholin-4-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3,5-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-pyrrolidin-1-yl-2-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
CID 164039308

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3aR,6aS)-5-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;bis(1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone);bis(1-[1-[4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone);1-[1-[4-[(2-hydroxy-2-methylpropyl)-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone?
The IUPAC name of 1-[1-[(3aR,6aS)-5-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;bis(1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone);bis(1-[1-[4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone);1-[1-[4-[(2-hydroxy-2-methylpropyl)-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone (CID 163597843) is 1-[1-[(3aR,6aS)-5-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;bis(1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone);bis(1-[1-[4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone);1-[1-[4-[(2-hydroxy-2-methylpropyl)-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(3aR,6aS)-5-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;bis(1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone);bis(1-[1-[4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone);1-[1-[4-[(2-hydroxy-2-methylpropyl)-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[1-[(3aR,6aS)-5-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;bis(1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone);bis(1-[1-[4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone);1-[1-[4-[(2-hydroxy-2-methylpropyl)-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CC3CN(Cc4ccc(C5(C(=O)O)CCOCC5)cc4C(F)(F)F)CC3C2)n1.CC(=O)c1ccn(C(=O)N2CCC(N(Cc3cccc(C)c3)CC(C)(C)O)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(OCC(C)(C)O)c3Cl)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(OCC(C)(C)O)c3Cl)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(OCC(C)(C)O)c3Cl)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(OCC(C)(C)O)c3Cl)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4cccc(C5CCCC5)c4)C[C@H]3C2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4cccc(OCC(C)(C)O)c4Cl)C[C@H]3C2)n1.
What is the InChIKey of 1-[1-[(3aR,6aS)-5-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;bis(1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone);bis(1-[1-[4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone);1-[1-[4-[(2-hydroxy-2-methylpropyl)-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone?
The InChIKey is GVAODCQHDXYQJF-NQUIZAJLSA-N. The full InChI is InChI=1S/C26H29F3N4O5.C25H31N3O3.C24H30ClN3O5.C23H32N4O3.2C22H29ClN4O4.2C21H27ClN4O4/c1-16(34)22-4-7-33(30-22)24(37)32-14-18-12-31(13-19(18)15-32)11-17-2-3-20(10-21(17)26(27,28)29)25(23(35)36)5-8-38-9-6-25;1-17(29)24-9-10-28(26-24)25(30)27-14-21-12-23(13-22(21)15-27)31-16-18-5-4-8-20(11-18)19-6-2-3-7-19;1-15(29)20-7-8-28(26-20)23(30)27-11-17-9-19(10-18(17)12-27)32-13-16-5-4-6-21(22(16)25)33-14-24(2,3)31;1-17-6-5-7-19(14-17)15-26(16-23(3,4)30)20-8-11-25(12-9-20)22(29)27-13-10-21(24-27)18(2)28;2*1-15-12-25(10-11-26(15)21(29)27-9-8-18(24-27)16(2)28)13-17-6-5-7-19(20(17)23)31-14-22(3,4)30;2*1-15(27)17-7-8-26(23-17)20(28)25-11-9-24(10-12-25)13-16-5-4-6-18(19(16)22)30-14-21(2,3)29/h2-4,7,10,18-19H,5-6,8-9,11-15H2,1H3,(H,35,36);4-5,8-11,19,21-23H,2-3,6-7,12-16H2,1H3;4-8,17-19,31H,9-14H2,1-3H3;5-7,10,13-14,20,30H,8-9,11-12,15-16H2,1-4H3;2*5-9,15,30H,10-14H2,1-4H3;2*4-8,29H,9-14H2,1-3H3/t;21-,22+,23?;17-,18+,19?;;2*15-;;/m....00../s1.
What are the key properties of 1-[1-[(3aR,6aS)-5-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;bis(1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone);bis(1-[1-[4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone);1-[1-[4-[(2-hydroxy-2-methylpropyl)-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone?
1-[1-[(3aR,6aS)-5-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;bis(1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone);bis(1-[1-[4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone);1-[1-[4-[(2-hydroxy-2-methylpropyl)-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 3612.33 g/mol, XLogP of 26.27, 47 rotatable bonds, 7 hydrogen bond donors, and 53 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3aR,6aS)-5-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[(3-cyclopentylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;4-[4-[[5-(3-acetylpyrazole-1-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]-3-(trifluoromethyl)phenyl]oxane-4-carboxylic acid;bis(1-[1-[(2S)-4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone);bis(1-[1-[4-[[2-chloro-3-(2-hydroxy-2-methylpropoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone);1-[1-[4-[(2-hydroxy-2-methylpropyl)-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 163597843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).