C79H103Cl2F4N15O2 — CID 158549878
N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol (PubChem CID 158549878) has the molecular formula C79H103Cl2F4N15O2 and a molecular weight of 1441.69 g/mol. Its IUPAC name is N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol.
| Compound Name | N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol |
|---|---|
| PubChem CID | 158549878 |
| Molecular Formula | C79H103Cl2F4N15O2 |
| Molecular Weight | 1441.69 g/mol |
| Exact Mass | 1439.77 |
| IUPAC Name | N-[[5-(4-chloro-3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-[3-chloro-4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropyloxyphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;N-[[5-(4-cyclopropylphenyl)-1H-pyrazol-4-yl]methyl]-N-methylpropan-1-amine;1-[4-[4-[[methyl(propyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]ethanol |
| SMILES | CCCN(C)Cc1cn[nH]c1-c1ccc(C(C)O)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(C(F)(F)F)c(Cl)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(C2CC2)cc1.CCCN(C)Cc1cn[nH]c1-c1ccc(Cl)c(F)c1.CCCN(C)Cc1cn[nH]c1-c1ccc(OC2CC2)cc1 |
| InChI | InChI=1S/C17H23N3O.C17H23N3.C16H23N3O.C15H17ClF3N3.C14H17ClFN3/c1-3-10-20(2)12-14-11-18-19-17(14)13-4-6-15(7-5-13)21-16-8-9-16;1-3-10-20(2)12-16-11-18-19-17(16)15-8-6-14(7-9-15)13-4-5-13;1-4-9-19(3)11-15-10-17-18-16(15)14-7-5-13(6-8-14)12(2)20;1-3-6-22(2)9-11-8-20-21-14(11)10-4-5-12(13(16)7-10)15(17,18)19;1-3-6-19(2)9-11-8-17-18-14(11)10-4-5-12(15)13(16)7-10/h4-7,11,16H,3,8-10,12H2,1-2H3,(H,18,19);6-9,11,13H,3-5,10,12H2,1-2H3,(H,18,19);5-8,10,12,20H,4,9,11H2,1-3H3,(H,17,18);4-5,7-8H,3,6,9H2,1-2H3,(H,20,21);4-5,7-8H,3,6,9H2,1-2H3,(H,17,18) |
| InChIKey | HPOVYGIIRNAMHC-UHFFFAOYSA-N |
| XLogP | 18.53 |
| TPSA | 189.06 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 102 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1441.69 |
| LogP ≤ 5 | 18.53 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 12 |