C135H167ClF4N28O12 — CID 163594649
1-[1-[4-[(2-chloro-4-methylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone (PubChem CID 163594649) has the molecular formula C135H167ClF4N28O12 and a molecular weight of 2485.45 g/mol. Its IUPAC name is 1-[1-[4-[(2-chloro-4-methylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone.
| Compound Name | 1-[1-[4-[(2-chloro-4-methylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone |
|---|---|
| PubChem CID | 163594649 |
| Molecular Formula | C135H167ClF4N28O12 |
| Molecular Weight | 2485.45 g/mol |
| Exact Mass | 2483.29 |
| IUPAC Name | 1-[1-[4-[(2-chloro-4-methylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[2-[(3S)-3-fluoropyrrolidin-1-yl]-4-methylphenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[2-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[1-[(3-methyl-5-pyrrolidin-1-ylphenyl)methyl]-1,8-diazaspiro[4.5]decane-8-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[(3-methyl-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone;1-[1-[4-[[3-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-3-yl]ethanone |
| SMILES | CC(=O)c1ccn(C(=O)N2CCC3(CCCN3Cc3cc(C)cc(N4CCCC4)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cc(N4CCCC4)cc(C(F)(F)F)c3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3C)CC2C)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3Cl)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3ccc(C)cc3N3CC[C@H](F)C3)CC2)n1.CC(=O)c1ccn(C(=O)N2CCN(Cc3cccc(C)c3N3CCCC3)CC2)n1 |
| InChI | InChI=1S/C26H35N5O2.C25H28N4O2.C22H26F3N5O2.C22H28FN5O2.C22H29N5O2.C18H21ClN4O2/c1-20-16-22(18-23(17-20)28-10-3-4-11-28)19-30-12-5-7-26(30)8-14-29(15-9-26)25(33)31-13-6-24(27-31)21(2)32;1-18-15-22(21-7-5-4-6-8-21)9-10-23(18)17-27-13-14-28(19(2)16-27)25(31)29-12-11-24(26-29)20(3)30;1-16(31)20-4-7-30(26-20)21(32)29-10-8-27(9-11-29)15-17-12-18(22(23,24)25)14-19(13-17)28-5-2-3-6-28;1-16-3-4-18(21(13-16)27-7-5-19(23)15-27)14-25-9-11-26(12-10-25)22(30)28-8-6-20(24-28)17(2)29;1-17-6-5-7-19(21(17)25-9-3-4-10-25)16-24-12-14-26(15-13-24)22(29)27-11-8-20(23-27)18(2)28;1-13-3-4-15(16(19)11-13)12-21-7-9-22(10-8-21)18(25)23-6-5-17(20-23)14(2)24/h6,13,16-18H,3-5,7-12,14-15,19H2,1-2H3;4-12,15,19H,13-14,16-17H2,1-3H3;4,7,12-14H,2-3,5-6,8-11,15H2,1H3;3-4,6,8,13,19H,5,7,9-12,14-15H2,1-2H3;5-8,11H,3-4,9-10,12-16H2,1-2H3;3-6,11H,7-10,12H2,1-2H3/t;;;19-;;/m...0../s1 |
| InChIKey | GSJWGJZYGFEYSH-PKTKXABESA-N |
| XLogP | 20.16 |
| TPSA | 363.60 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 180 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2485.45 |
| LogP ≤ 5 | 20.16 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 34 |