C88H115F9N16O3 — CID 162103823
N-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 162103823) has the molecular formula C88H115F9N16O3 and a molecular weight of 1615.98 g/mol. Its IUPAC name is N-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine.
| Compound Name | N-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine |
|---|---|
| PubChem CID | 162103823 |
| Molecular Formula | C88H115F9N16O3 |
| Molecular Weight | 1615.98 g/mol |
| Exact Mass | 1614.92 |
| IUPAC Name | N-[[5-[2,4-bis(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[3-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-ylmethyl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[5-(4-piperidin-1-ylphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine |
| SMILES | CCCN(C)Cc1cn(CC2COC2)nc1-c1ccc(F)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)cc1C(F)(F)F.CCCN(C)Cc1cn[nH]c1-c1ccc(N2CCCCC2)cc1.CCCN(C)Cc1cnn(C2COC2)c1-c1ccc(F)cc1.CCCN(C)Cc1cnn(CC2COC2)c1-c1ccc(F)cc1 |
| InChI | InChI=1S/C19H28N4.2C18H24FN3O.C17H22FN3O.C16H17F6N3/c1-3-11-22(2)15-17-14-20-21-19(17)16-7-9-18(10-8-16)23-12-5-4-6-13-23;1-3-8-21(2)11-16-9-20-22(10-14-12-23-13-14)18(16)15-4-6-17(19)7-5-15;1-3-8-21(2)10-16-11-22(9-14-12-23-13-14)20-18(16)15-4-6-17(19)7-5-15;1-3-8-20(2)10-14-9-19-21(16-11-22-12-16)17(14)13-4-6-15(18)7-5-13;1-3-6-25(2)9-10-8-23-24-14(10)12-5-4-11(15(17,18)19)7-13(12)16(20,21)22/h7-10,14H,3-6,11-13,15H2,1-2H3,(H,20,21);4-7,9,14H,3,8,10-13H2,1-2H3;4-7,11,14H,3,8-10,12-13H2,1-2H3;4-7,9,16H,3,8,10-12H2,1-2H3;4-5,7-8H,3,6,9H2,1-2H3,(H,23,24) |
| InChIKey | ZFFYEYMPVROCQC-UHFFFAOYSA-N |
| XLogP | 18.32 |
| TPSA | 157.95 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 116 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1615.98 |
| LogP ≤ 5 | 18.32 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 17 |