C119H138N24O8S5 — CID 159182632
1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-3-yl]aniline;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;N-propan-2-yl-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide (PubChem CID 159182632) has the molecular formula C119H138N24O8S5 and a molecular weight of 2192.91 g/mol. Its IUPAC name is 1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-3-yl]aniline;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;N-propan-2-yl-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide.
| Compound Name | 1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-3-yl]aniline;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;N-propan-2-yl-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide |
|---|---|
| PubChem CID | 159182632 |
| Molecular Formula | C119H138N24O8S5 |
| Molecular Weight | 2192.91 g/mol |
| Exact Mass | 2190.97 |
| IUPAC Name | 1-cyclopropyl-N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-3-yl]aniline;N-(methyl-methylidene-oxo-λ6-sulfanyl)-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;N-propan-2-yl-4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]aniline;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]cyclopropanesulfonamide;N-[4-[1-(2-propyl-4-pyridinyl)pyrazol-4-yl]phenyl]propane-2-sulfonamide |
| SMILES | C=S(C)(=O)Nc1ccc(-c2ccn(-c3ccnc(CCC)c3)n2)cc1.C=S(C)(=O)Nc1ccc(-c2cnn(-c3ccnc(CCC)c3)c2)cc1.CCCc1cc(-n2cc(-c3ccc(NC(C)C)cc3)cn2)ccn1.CCCc1cc(-n2cc(-c3ccc(NS(=O)(=O)C(C)C)cc3)cn2)ccn1.CCCc1cc(-n2cc(-c3ccc(NS(=O)(=O)C4CC4)cc3)cn2)ccn1.CCCc1cc(-n2cc(-c3ccc(NS(=O)(=O)CC4CC4)cc3)cn2)ccn1 |
| InChI | InChI=1S/C21H24N4O2S.C20H22N4O2S.C20H24N4O2S.C20H24N4.2C19H22N4OS/c1-2-3-20-12-21(10-11-22-20)25-14-18(13-23-25)17-6-8-19(9-7-17)24-28(26,27)15-16-4-5-16;1-2-3-18-12-19(10-11-21-18)24-14-16(13-22-24)15-4-6-17(7-5-15)23-27(25,26)20-8-9-20;1-4-5-19-12-20(10-11-21-19)24-14-17(13-22-24)16-6-8-18(9-7-16)23-27(25,26)15(2)3;1-4-5-19-12-20(10-11-21-19)24-14-17(13-22-24)16-6-8-18(9-7-16)23-15(2)3;1-4-5-17-14-18(10-12-20-17)23-13-11-19(21-23)15-6-8-16(9-7-15)22-25(2,3)24;1-4-5-18-12-19(10-11-20-18)23-14-16(13-21-23)15-6-8-17(9-7-15)22-25(2,3)24/h6-14,16,24H,2-5,15H2,1H3;4-7,10-14,20,23H,2-3,8-9H2,1H3;6-15,23H,4-5H2,1-3H3;6-15,23H,4-5H2,1-3H3;2*6-14H,2,4-5H2,1,3H3,(H,22,24) |
| InChIKey | KNCCLDLLPIJLHH-UHFFFAOYSA-N |
| XLogP | 23.69 |
| TPSA | 393.00 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 156 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2192.91 |
| LogP ≤ 5 | 23.69 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'} |
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