C81H108ClF6N15O4 — CID 159935363
N-[[5-(2-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[4-(oxan-4-yl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine (PubChem CID 159935363) has the molecular formula C81H108ClF6N15O4 and a molecular weight of 1505.30 g/mol. Its IUPAC name is N-[[5-(2-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[4-(oxan-4-yl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine.
| Compound Name | N-[[5-(2-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[4-(oxan-4-yl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine |
|---|---|
| PubChem CID | 159935363 |
| Molecular Formula | C81H108ClF6N15O4 |
| Molecular Weight | 1505.30 g/mol |
| Exact Mass | 1503.83 |
| IUPAC Name | N-[[5-(2-chloro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-fluoro-3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[4-(3-fluoro-4-propan-2-yloxyphenyl)-1H-pyrazol-5-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-fluoro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-methyl-N-[[4-[4-(oxan-4-yl)phenyl]-1H-pyrazol-5-yl]methyl]propan-1-amine |
| SMILES | CCCN(C)Cc1[nH]ncc1-c1ccc(C2CCOCC2)cc1.CCCN(C)Cc1[nH]ncc1-c1ccc(OC(C)C)c(F)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)c(F)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(F)c(OC)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(OC)cc1Cl |
| InChI | InChI=1S/C19H27N3O.C17H24FN3O.C15H20ClN3O.C15H17F4N3.C15H20FN3O/c1-3-10-22(2)14-19-18(13-20-21-19)17-6-4-15(5-7-17)16-8-11-23-12-9-16;1-5-8-21(4)11-16-14(10-19-20-16)13-6-7-17(15(18)9-13)22-12(2)3;1-4-7-19(2)10-11-9-17-18-15(11)13-6-5-12(20-3)8-14(13)16;1-3-6-22(2)9-11-8-20-21-14(11)10-4-5-12(13(16)7-10)15(17,18)19;1-4-7-19(2)10-12-9-17-18-15(12)11-5-6-13(16)14(8-11)20-3/h4-7,13,16H,3,8-12,14H2,1-2H3,(H,20,21);6-7,9-10,12H,5,8,11H2,1-4H3,(H,19,20);5-6,8-9H,4,7,10H2,1-3H3,(H,17,18);4-5,7-8H,3,6,9H2,1-2H3,(H,20,21);5-6,8-9H,4,7,10H2,1-3H3,(H,17,18) |
| InChIKey | OAEHEFRIDHYQIO-UHFFFAOYSA-N |
| XLogP | 18.38 |
| TPSA | 196.52 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 107 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1505.30 |
| LogP ≤ 5 | 18.38 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 14 |