About 1-[1-[(3aR,6aS)-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-[(3-methylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-chloro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-methoxyphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[8-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]pyrazol-3-yl]ethanone
1-[1-[(3aR,6aS)-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-[(3-methylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-chloro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-methoxyphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[8-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 163683099) has the molecular formula C135H157Cl3N22O16
and a molecular weight of 2450.24 g/mol. Its IUPAC name is 1-[1-[(3aR,6aS)-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-[(3-methylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-chloro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-methoxyphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[8-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]pyrazol-3-yl]ethanone.
Frequently Asked Questions
What is the IUPAC name of 1-[1-[(3aR,6aS)-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-[(3-methylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-chloro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-methoxyphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[8-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]pyrazol-3-yl]ethanone?
The IUPAC name of 1-[1-[(3aR,6aS)-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-[(3-methylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-chloro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-methoxyphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[8-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]pyrazol-3-yl]ethanone (CID 163683099) is 1-[1-[(3aR,6aS)-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-[(3-methylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-chloro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-methoxyphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[8-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]pyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(3aR,6aS)-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-[(3-methylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-chloro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-methoxyphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[8-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]pyrazol-3-yl]ethanone?
The canonical SMILES for 1-[1-[(3aR,6aS)-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-[(3-methylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-chloro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-methoxyphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[8-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]pyrazol-3-yl]ethanone is CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(C)c4)CC3)C2)n1.CC(=O)c1ccn(C(=O)N2CCC3(CCN(Cc4cccc(Cl)c4Cl)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3Cl)C[C@H]2C)n1.CC(=O)c1ccn(C(=O)N2C[C@H]3CC(OCc4cccc(C)c4C)C[C@H]3C2)n1.CC(=O)c1nn(C(=O)N2C[C@H]3CC(OCc4cccc(C)c4)C[C@H]3C2)cc1C.COc1ccccc1Oc1cccc(CN2CCN(C(=O)n3ccc(C(C)=O)n3)CC2)c1.
What is the InChIKey of 1-[1-[(3aR,6aS)-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-[(3-methylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-chloro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-methoxyphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[8-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]pyrazol-3-yl]ethanone?
The InChIKey is JMMIMHNGJOMWHD-BEELGRBDSA-N. The full InChI is InChI=1S/C24H25ClN4O2.C24H26N4O4.C22H28N4O2.2C22H27N3O3.C21H24Cl2N4O2/c1-17-15-27(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;1-18(29)21-10-11-28(25-21)24(30)27-14-12-26(13-15-27)17-19-6-5-7-20(16-19)32-23-9-4-3-8-22(23)31-2;1-17-4-3-5-19(14-17)15-24-11-7-22(8-12-24)9-13-25(16-22)21(28)26-10-6-20(23-26)18(2)27;1-14-5-4-6-17(7-14)13-28-20-8-18-11-24(12-19(18)9-20)22(27)25-10-15(2)21(23-25)16(3)26;1-14-5-4-6-17(15(14)2)13-28-20-9-18-11-24(12-19(18)10-20)22(27)25-8-7-21(23-25)16(3)26;1-15(28)18-5-9-27(24-18)20(29)26-11-7-21(8-12-26)6-10-25(14-21)13-16-3-2-4-17(22)19(16)23/h3-11,14,17H,12-13,15-16H2,1-2H3;3-11,16H,12-15,17H2,1-2H3;3-6,10,14H,7-9,11-13,15-16H2,1-2H3;4-7,10,18-20H,8-9,11-13H2,1-3H3;4-8,18-20H,9-13H2,1-3H3;2-5,9H,6-8,10-14H2,1H3/t17-;;;2*18-,19+,20?;/m1...../s1.
What are the key properties of 1-[1-[(3aR,6aS)-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-[(3-methylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-chloro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-methoxyphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[8-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]pyrazol-3-yl]ethanone?
1-[1-[(3aR,6aS)-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-[(3-methylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-chloro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-methoxyphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[8-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]pyrazol-3-yl]ethanone has a molecular weight of 2450.24 g/mol, XLogP of 23.15, 24 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3aR,6aS)-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-[(3-methylphenyl)methoxy]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methylpyrazol-3-yl]ethanone;1-[1-[(2R)-4-[(2-chloro-4-phenylphenyl)methyl]-2-methylpiperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-[(2,3-dichlorophenyl)methyl]-2,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-(2-methoxyphenoxy)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[8-[(3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]pyrazol-3-yl]ethanone is sourced from PubChem (CID 163683099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).