1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-2-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-5-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-fluoro-3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(3-fluoro-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R,4S)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S,4R)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone

C174H195F3N34O21S2 — CID 163911525

IUPAC1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-2-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-5-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-fluoro-3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(3-fluoro-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R,4S)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S,4R)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCC(C)(N(C)Cc3cccc(C)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(F)c(Oc4ccccc4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4cncc(F)c4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ncccc4F)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CC[C@@H](N(C)Cc3cccc(C)c3)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2CC[C@H](N(C)Cc3cccc(C)c3)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4cccc(-c5cncs5)c4)C[C@H]3C2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4cccc(-c5nccs5)c4)C[C@H]3C2)n1
InChIInChI=1S/C23H23FN4O3.2C22H22FN5O3.2C22H22N4O3S.3C21H28N4O2/c1-17(29)21-9-10-28(25-21)23(30)27-13-11-26(12-14-27)16-18-7-8-20(24)22(15-18)31-19-5-3-2-4-6-19;1-16(29)20-7-9-28(25-20)22(30)27-12-10-26(11-13-27)15-17-4-2-5-18(14-17)31-21-19(23)6-3-8-24-21;1-16(29)21-5-6-28(25-21)22(30)27-9-7-26(8-10-27)15-17-3-2-4-19(11-17)31-20-12-18(23)13-24-14-20;1-14(27)20-5-7-26(24-20)22(28)25-12-16-10-19(11-17(16)13-25)29-18-4-2-3-15(9-18)21-23-6-8-30-21;1-14(27)20-5-6-26(24-20)22(28)25-11-16-8-19(9-17(16)12-25)29-18-4-2-3-15(7-18)21-10-23-13-30-21;1-16-6-5-7-18(14-16)15-23(4)21(3)9-12-24(13-10-21)20(27)25-11-8-19(22-25)17(2)26;2*1-15-6-5-7-18(12-15)14-23(4)19-8-10-24(16(2)13-19)21(27)25-11-9-20(22-25)17(3)26/h2-10,15H,11-14,16H2,1H3;2-9,14H,10-13,15H2,1H3;2-6,11-14H,7-10,15H2,1H3;2-9,16-17,19H,10-13H2,1H3;2-7,10,13,16-17,19H,8-9,11-12H2,1H3;5-8,11,14H,9-10,12-13,15H2,1-4H3;2*5-7,9,11-12,16,19H,8,10,13-14H2,1-4H3/t;;;2*16-,17+,19?;;2*16-,19+/m......10/s1
InChIKeyQSNBZGDRCMRMMI-FWZHWYMESA-N
MW3219.82 g/mol
LogP28.18
Rot. Bonds35

About 1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-2-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-5-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-fluoro-3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(3-fluoro-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R,4S)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S,4R)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone

1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-2-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-5-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-fluoro-3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(3-fluoro-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R,4S)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S,4R)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 163911525) has the molecular formula C174H195F3N34O21S2 and a molecular weight of 3219.82 g/mol. Its IUPAC name is 1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-2-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-5-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-fluoro-3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(3-fluoro-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R,4S)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S,4R)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-2-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-5-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-fluoro-3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(3-fluoro-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R,4S)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S,4R)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone
PubChem CID163911525
Molecular FormulaC174H195F3N34O21S2
Molecular Weight3219.82 g/mol
Exact Mass3217.46
IUPAC Name1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-2-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-5-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-fluoro-3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(3-fluoro-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R,4S)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S,4R)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone
SMILESCC(=O)c1ccn(C(=O)N2CCC(C)(N(C)Cc3cccc(C)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(F)c(Oc4ccccc4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4cncc(F)c4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ncccc4F)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CC[C@@H](N(C)Cc3cccc(C)c3)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2CC[C@H](N(C)Cc3cccc(C)c3)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4cccc(-c5cncs5)c4)C[C@H]3C2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4cccc(-c5nccs5)c4)C[C@H]3C2)n1
InChIInChI=1S/C23H23FN4O3.2C22H22FN5O3.2C22H22N4O3S.3C21H28N4O2/c1-17(29)21-9-10-28(25-21)23(30)27-13-11-26(12-14-27)16-18-7-8-20(24)22(15-18)31-19-5-3-2-4-6-19;1-16(29)20-7-9-28(25-20)22(30)27-12-10-26(11-13-27)15-17-4-2-5-18(14-17)31-21-19(23)6-3-8-24-21;1-16(29)21-5-6-28(25-21)22(30)27-9-7-26(8-10-27)15-17-3-2-4-19(11-17)31-20-12-18(23)13-24-14-20;1-14(27)20-5-7-26(24-20)22(28)25-12-16-10-19(11-17(16)13-25)29-18-4-2-3-15(9-18)21-23-6-8-30-21;1-14(27)20-5-6-26(24-20)22(28)25-11-16-8-19(9-17(16)12-25)29-18-4-2-3-15(7-18)21-10-23-13-30-21;1-16-6-5-7-18(14-16)15-23(4)21(3)9-12-24(13-10-21)20(27)25-11-8-19(22-25)17(2)26;2*1-15-6-5-7-18(12-15)14-23(4)19-8-10-24(16(2)13-19)21(27)25-11-9-20(22-25)17(3)26/h2-10,15H,11-14,16H2,1H3;2-9,14H,10-13,15H2,1H3;2-6,11-14H,7-10,15H2,1H3;2-9,16-17,19H,10-13H2,1H3;2-7,10,13,16-17,19H,8-9,11-12H2,1H3;5-8,11,14H,9-10,12-13,15H2,1-4H3;2*5-7,9,11-12,16,19H,8,10,13-14H2,1-4H3/t;;;2*16-,17+,19?;;2*16-,19+/m......10/s1
InChIKeyQSNBZGDRCMRMMI-FWZHWYMESA-N
XLogP28.18
TPSA558.75 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds35
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003219.82
LogP ≤ 528.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Analyze 1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-2-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-5-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-fluoro-3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(3-fluoro-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R,4S)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S,4R)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone with MolForge

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Related Compounds

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-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]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-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone
CID 163552657
1-[1-[(3aS,6aR)-5-[(2,3-dimethylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-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-[(4-phenylphenyl)methylamino]-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-[2-[(3,5-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(2R,5S)-2,5-dimethylpyrrolidin-1-yl]-4-methylphenyl]methyl-methylamino]-4-methylpiperidine-1-carbonyl]pyrazol-3-yl]ethanone
CID 159265632
1-[1-[(3aS,6aR)-5-(3,5-dichlorophenoxy)-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-[2-[(3-chlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-2-methyl-4-[(4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-pyridazin-3-yloxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
CID 159575564
1-[5-[3-(1,3-thiazol-5-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazole-3-carboxylic acid
CID 175896426
1-[1-[(3aS,6aR)-5-[3-(1,3-oxazol-2-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyrimidin-5-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[4-chloro-1-[2-[(3-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-ethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(6-methyl-1-benzothiophen-2-yl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S,4S)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone
CID 158587761
1-[1-[(3aS,6aR)-5-[[3-chloro-2-(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-(2-pyrazol-1-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-(3-pyrimidin-4-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-chloro-5-(4-chlorophenoxy)phenyl]methoxy]piperidine-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-[1-[(3-methyl-5-pyrazol-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-pyrimidin-5-yloxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
CID 163761935
1-[1-[(2S)-4-[(4-fluoro-3-phenoxyphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone
CID 163770593
bis(1-[1-[(3aS,6aR)-5-[(3-phenylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone);1-[1-[(3aR,6aS)-5-[(3-phenylphenyl)methylamino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-chloro-5-methylphenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-chloro-3-methylphenyl)methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]piperidine-1-carbonyl]pyrazol-3-yl]ethanone
CID 163795663
1-[1-[(3aR,6aS)-5-(2-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(4-phenylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyridin-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-pyridin-3-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aS,6aR)-5-(3-pyridin-4-ylphenoxy)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-hydroxyoxan-4-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone
CID 163545768
1-[1-[(3aR,6aS)-5-[[4-chloro-3-(1,3-thiazol-2-yl)phenyl]methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R)-4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(4-chlorophenoxy)-5-fluorophenyl]methyl]piperazine-1-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[1-[(3-chloro-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(4-chloro-3-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(5-chloro-2-pyrrolidin-1-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
CID 163946026
1-[1-[2-[[3-(1,3-thiazol-2-yl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone
CID 158085827
N-[1-[2-[[4-(3-acetylpyrazole-1-carbonyl)piperazin-1-yl]methyl]-5-methylphenyl]piperidin-4-yl]acetamide;1-[1-[2-[(3-chloro-5-fluorophenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[[3-(4-chlorophenoxy)phenyl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-(2,5-dimethylpyrrolidin-1-yl)-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[4-methyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(3-methylphenyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carbonyl]pyrazol-3-yl]ethanone
CID 159627867

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-2-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-5-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-fluoro-3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(3-fluoro-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R,4S)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S,4R)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone?
The IUPAC name of 1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-2-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-5-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-fluoro-3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(3-fluoro-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R,4S)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S,4R)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone (CID 163911525) is 1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-2-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-5-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-fluoro-3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(3-fluoro-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R,4S)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S,4R)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-2-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-5-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-fluoro-3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(3-fluoro-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R,4S)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S,4R)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-2-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-5-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-fluoro-3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(3-fluoro-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R,4S)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S,4R)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CCC(C)(N(C)Cc3cccc(C)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(F)c(Oc4ccccc4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4cncc(F)c4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(Oc4ncccc4F)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CC[C@@H](N(C)Cc3cccc(C)c3)C[C@@H]2C)n1.CC(=O)c1ccn(C(=O)N2CC[C@H](N(C)Cc3cccc(C)c3)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4cccc(-c5cncs5)c4)C[C@H]3C2)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(Oc4cccc(-c5nccs5)c4)C[C@H]3C2)n1.
What is the InChIKey of 1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-2-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-5-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-fluoro-3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(3-fluoro-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R,4S)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S,4R)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone?
The InChIKey is QSNBZGDRCMRMMI-FWZHWYMESA-N. The full InChI is InChI=1S/C23H23FN4O3.2C22H22FN5O3.2C22H22N4O3S.3C21H28N4O2/c1-17(29)21-9-10-28(25-21)23(30)27-13-11-26(12-14-27)16-18-7-8-20(24)22(15-18)31-19-5-3-2-4-6-19;1-16(29)20-7-9-28(25-20)22(30)27-12-10-26(11-13-27)15-17-4-2-5-18(14-17)31-21-19(23)6-3-8-24-21;1-16(29)21-5-6-28(25-21)22(30)27-9-7-26(8-10-27)15-17-3-2-4-19(11-17)31-20-12-18(23)13-24-14-20;1-14(27)20-5-7-26(24-20)22(28)25-12-16-10-19(11-17(16)13-25)29-18-4-2-3-15(9-18)21-23-6-8-30-21;1-14(27)20-5-6-26(24-20)22(28)25-11-16-8-19(9-17(16)12-25)29-18-4-2-3-15(7-18)21-10-23-13-30-21;1-16-6-5-7-18(14-16)15-23(4)21(3)9-12-24(13-10-21)20(27)25-11-8-19(22-25)17(2)26;2*1-15-6-5-7-18(12-15)14-23(4)19-8-10-24(16(2)13-19)21(27)25-11-9-20(22-25)17(3)26/h2-10,15H,11-14,16H2,1H3;2-9,14H,10-13,15H2,1H3;2-6,11-14H,7-10,15H2,1H3;2-9,16-17,19H,10-13H2,1H3;2-7,10,13,16-17,19H,8-9,11-12H2,1H3;5-8,11,14H,9-10,12-13,15H2,1-4H3;2*5-7,9,11-12,16,19H,8,10,13-14H2,1-4H3/t;;;2*16-,17+,19?;;2*16-,19+/m......10/s1.
What are the key properties of 1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-2-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-5-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-fluoro-3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(3-fluoro-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R,4S)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S,4R)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone?
1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-2-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-5-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-fluoro-3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(3-fluoro-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R,4S)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S,4R)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 3219.82 g/mol, XLogP of 28.18, 35 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-2-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(3aR,6aS)-5-[3-(1,3-thiazol-5-yl)phenoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(4-fluoro-3-phenoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(3-fluoro-2-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-[(5-fluoro-3-pyridinyl)oxy]phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2R,4S)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[(2S,4R)-2-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-methyl-4-[methyl-[(3-methylphenyl)methyl]amino]piperidine-1-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 163911525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).