C93H126F6N18O2 — CID 158639639
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-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine (PubChem CID 158639639) has the molecular formula C93H126F6N18O2 and a molecular weight of 1642.14 g/mol. Its IUPAC name is 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-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine.
| Compound Name | 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-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine |
|---|---|
| PubChem CID | 158639639 |
| Molecular Formula | C93H126F6N18O2 |
| Molecular Weight | 1642.14 g/mol |
| Exact Mass | 1641.02 |
| IUPAC Name | 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-[[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-methylpyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylbutan-1-amine;N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine |
| SMILES | CCCCN(C)Cc1cn[nH]c1-c1ccc(F)cc1.CCCN(C)Cc1cn(C)nc1-c1ccc(F)cc1.CCCN(C)Cc1cn(CCOC)nc1-c1ccc(F)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(F)cc1.CCCN(C)Cc1cnn(C)c1-c1ccc(F)cc1.CCCN(C)Cc1cnn(CCOC)c1-c1ccc(F)cc1 |
| InChI | InChI=1S/2C17H24FN3O.3C15H20FN3.C14H18FN3/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;1-4-9-18(2)10-13-11-19(3)17-15(13)12-5-7-14(16)8-6-12;1-4-9-18(2)11-13-10-17-19(3)15(13)12-5-7-14(16)8-6-12;1-3-4-9-19(2)11-13-10-17-18-15(13)12-5-7-14(16)8-6-12;1-3-8-18(2)10-12-9-16-17-14(12)11-4-6-13(15)7-5-11/h5-8,13H,4,9-12H2,1-3H3;5-8,12H,4,9-11,13H2,1-3H3;5-8,11H,4,9-10H2,1-3H3;5-8,10H,4,9,11H2,1-3H3;5-8,10H,3-4,9,11H2,1-2H3,(H,17,18);4-7,9H,3,8,10H2,1-2H3,(H,16,17) |
| InChIKey | IAFFPBARELOZSN-UHFFFAOYSA-N |
| XLogP | 19.00 |
| TPSA | 166.54 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 37 |
| Heavy Atoms | 119 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1642.14 |
| LogP ≤ 5 | 19.00 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 18 |