C147H164ClN25 — CID 158754291
4-benzyl-5-(1-benzylazetidin-3-yl)-1H-pyrazole;1-benzyl-3-(4-benzyl-1H-pyrazol-5-yl)piperidine;1-benzyl-4-(5-benzyl-1H-pyrazol-4-yl)piperidine;4-benzyl-5-(1-benzylpyrrolidin-3-yl)-1H-pyrazole;4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-3-chloropyridine;4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]pyridine;4-[[4-(5-benzyl-2H-triazol-4-yl)piperidin-1-yl]methyl]pyridine (PubChem CID 158754291) has the molecular formula C147H164ClN25 and a molecular weight of 2316.56 g/mol. Its IUPAC name is 4-benzyl-5-(1-benzylazetidin-3-yl)-1H-pyrazole;1-benzyl-3-(4-benzyl-1H-pyrazol-5-yl)piperidine;1-benzyl-4-(5-benzyl-1H-pyrazol-4-yl)piperidine;4-benzyl-5-(1-benzylpyrrolidin-3-yl)-1H-pyrazole;4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-3-chloropyridine;4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]pyridine;4-[[4-(5-benzyl-2H-triazol-4-yl)piperidin-1-yl]methyl]pyridine.
| Compound Name | 4-benzyl-5-(1-benzylazetidin-3-yl)-1H-pyrazole;1-benzyl-3-(4-benzyl-1H-pyrazol-5-yl)piperidine;1-benzyl-4-(5-benzyl-1H-pyrazol-4-yl)piperidine;4-benzyl-5-(1-benzylpyrrolidin-3-yl)-1H-pyrazole;4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-3-chloropyridine;4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]pyridine;4-[[4-(5-benzyl-2H-triazol-4-yl)piperidin-1-yl]methyl]pyridine |
|---|---|
| PubChem CID | 158754291 |
| Molecular Formula | C147H164ClN25 |
| Molecular Weight | 2316.56 g/mol |
| Exact Mass | 2314.33 |
| IUPAC Name | 4-benzyl-5-(1-benzylazetidin-3-yl)-1H-pyrazole;1-benzyl-3-(4-benzyl-1H-pyrazol-5-yl)piperidine;1-benzyl-4-(5-benzyl-1H-pyrazol-4-yl)piperidine;4-benzyl-5-(1-benzylpyrrolidin-3-yl)-1H-pyrazole;4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]-3-chloropyridine;4-[[4-(5-benzyl-1H-pyrazol-4-yl)piperidin-1-yl]methyl]pyridine;4-[[4-(5-benzyl-2H-triazol-4-yl)piperidin-1-yl]methyl]pyridine |
| SMILES | Clc1cnccc1CN1CCC(c2cn[nH]c2Cc2ccccc2)CC1.c1ccc(Cc2[nH]ncc2C2CCN(Cc3ccccc3)CC2)cc1.c1ccc(Cc2[nH]ncc2C2CCN(Cc3ccncc3)CC2)cc1.c1ccc(Cc2cn[nH]c2C2CCCN(Cc3ccccc3)C2)cc1.c1ccc(Cc2cn[nH]c2C2CCN(Cc3ccccc3)C2)cc1.c1ccc(Cc2cn[nH]c2C2CN(Cc3ccccc3)C2)cc1.c1ccc(Cc2n[nH]nc2C2CCN(Cc3ccncc3)CC2)cc1 |
| InChI | InChI=1S/2C22H25N3.C21H23ClN4.C21H24N4.C21H23N3.C20H23N5.C20H21N3/c1-3-8-18(9-4-1)14-21-15-23-24-22(21)20-12-7-13-25(17-20)16-19-10-5-2-6-11-19;1-3-7-18(8-4-1)15-22-21(16-23-24-22)20-11-13-25(14-12-20)17-19-9-5-2-6-10-19;22-20-14-23-9-6-18(20)15-26-10-7-17(8-11-26)19-13-24-25-21(19)12-16-4-2-1-3-5-16;1-2-4-17(5-3-1)14-21-20(15-23-24-21)19-8-12-25(13-9-19)16-18-6-10-22-11-7-18;1-3-7-17(8-4-1)13-20-14-22-23-21(20)19-11-12-24(16-19)15-18-9-5-2-6-10-18;1-2-4-16(5-3-1)14-19-20(23-24-22-19)18-8-12-25(13-9-18)15-17-6-10-21-11-7-17;1-3-7-16(8-4-1)11-18-12-21-22-20(18)19-14-23(15-19)13-17-9-5-2-6-10-17/h1-6,8-11,15,20H,7,12-14,16-17H2,(H,23,24);1-10,16,20H,11-15,17H2,(H,23,24);1-6,9,13-14,17H,7-8,10-12,15H2,(H,24,25);1-7,10-11,15,19H,8-9,12-14,16H2,(H,23,24);1-10,14,19H,11-13,15-16H2,(H,22,23);1-7,10-11,18H,8-9,12-15H2,(H,22,23,24);1-10,12,19H,11,13-15H2,(H,21,22) |
| InChIKey | INWGNALDPNUBSO-UHFFFAOYSA-N |
| XLogP | 27.72 |
| TPSA | 275.00 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 35 |
| Heavy Atoms | 173 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2316.56 |
| LogP ≤ 5 | 27.72 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 18 |