C99H138F6N18O2 — CID 158261421
N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[2-(4-fluorophenyl)-1-methylpyrrol-3-yl]methyl]-N-methylpropan-1-amine (PubChem CID 158261421) has the molecular formula C99H138F6N18O2 and a molecular weight of 1726.30 g/mol. Its IUPAC name is N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[2-(4-fluorophenyl)-1-methylpyrrol-3-yl]methyl]-N-methylpropan-1-amine.
| Compound Name | N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[2-(4-fluorophenyl)-1-methylpyrrol-3-yl]methyl]-N-methylpropan-1-amine |
|---|---|
| PubChem CID | 158261421 |
| Molecular Formula | C99H138F6N18O2 |
| Molecular Weight | 1726.30 g/mol |
| Exact Mass | 1725.12 |
| IUPAC Name | N-[[1-ethyl-3-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[1-ethyl-5-(4-fluorophenyl)pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N'-ethyl-N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylethane-1,2-diamine;N-[[3-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(2-methoxyethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[2-(4-fluorophenyl)-1-methylpyrrol-3-yl]methyl]-N-methylpropan-1-amine |
| SMILES | CCCCN(C)Cc1cn(CC)nc1-c1ccc(F)cc1.CCCCN(C)Cc1cnn(CC)c1-c1ccc(F)cc1.CCCN(C)Cc1ccn(C)c1-c1ccc(F)cc1.CCCN(C)Cc1cn(CCOC)nc1-c1ccc(F)cc1.CCCN(C)Cc1cnn(CCOC)c1-c1ccc(F)cc1.CCN(CCNC)Cc1cn[nH]c1-c1ccc(F)cc1 |
| InChI | InChI=1S/2C17H24FN3O.2C17H24FN3.C16H21FN2.C15H21FN4/c1-4-9-20(2)12-15-13-21(10-11-22-3)19-17(15)14-5-7-16(18)8-6-14;1-4-9-20(2)13-15-12-19-21(10-11-22-3)17(15)14-5-7-16(18)8-6-14;1-4-6-11-20(3)12-15-13-21(5-2)19-17(15)14-7-9-16(18)10-8-14;1-4-6-11-20(3)13-15-12-19-21(5-2)17(15)14-7-9-16(18)10-8-14;1-4-10-18(2)12-14-9-11-19(3)16(14)13-5-7-15(17)8-6-13;1-3-20(9-8-17-2)11-13-10-18-19-15(13)12-4-6-14(16)7-5-12/h5-8,13H,4,9-12H2,1-3H3;5-8,12H,4,9-11,13H2,1-3H3;7-10,13H,4-6,11-12H2,1-3H3;7-10,12H,4-6,11,13H2,1-3H3;5-9,11H,4,10,12H2,1-3H3;4-7,10,17H,3,8-9,11H2,1-2H3,(H,18,19) |
| InChIKey | GHXJZSSRALQLGV-UHFFFAOYSA-N |
| XLogP | 20.17 |
| TPSA | 154.82 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 125 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1726.30 |
| LogP ≤ 5 | 20.17 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 19 |