C63H64Cl2N24O14 — CID 158696018
4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid (PubChem CID 158696018) has the molecular formula C63H64Cl2N24O14 and a molecular weight of 1452.26 g/mol. Its IUPAC name is 4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid.
| Compound Name | 4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid |
|---|---|
| PubChem CID | 158696018 |
| Molecular Formula | C63H64Cl2N24O14 |
| Molecular Weight | 1452.26 g/mol |
| Exact Mass | 1450.44 |
| IUPAC Name | 4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-chloro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(6-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyrimidin-2-yl)pyrazol-5-yl]ethanone;4-(6-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(4-methylpyrimidin-2-yl)pyrazole-5-carboxylic acid |
| SMILES | COc1cncc(-c2cnn(C)c2C(=O)CO)n1.COc1cncc(-c2cnn(C)c2C(=O)O)n1.Cc1ccnc(-c2cnn(C)c2C(=O)CO)n1.Cc1ccnc(-c2cnn(C)c2C(=O)O)n1.Cc1ncc(Cl)c(-c2cnn(C)c2C(=O)CO)n1.Cc1ncc(Cl)c(-c2cnn(C)c2C(=O)O)n1 |
| InChI | InChI=1S/C11H11ClN4O2.C11H12N4O3.C11H12N4O2.C10H9ClN4O2.C10H10N4O3.C10H10N4O2/c1-6-13-4-8(12)10(15-6)7-3-14-16(2)11(7)9(18)5-17;1-15-11(9(17)6-16)7(3-13-15)8-4-12-5-10(14-8)18-2;1-7-3-4-12-11(14-7)8-5-13-15(2)10(8)9(17)6-16;1-5-12-4-7(11)8(14-5)6-3-13-15(2)9(6)10(16)17;1-14-9(10(15)16)6(3-12-14)7-4-11-5-8(13-7)17-2;1-6-3-4-11-9(13-6)7-5-12-14(2)8(7)10(15)16/h3-4,17H,5H2,1-2H3;3-5,16H,6H2,1-2H3;3-5,16H,6H2,1-2H3;3-4H,1-2H3,(H,16,17);3-5H,1-2H3,(H,15,16);3-5H,1-2H3,(H,15,16) |
| InChIKey | IGYLCHXSXBBDDQ-UHFFFAOYSA-N |
| XLogP | 4.44 |
| TPSA | 503.86 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 103 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1452.26 |
| LogP ≤ 5 | 4.44 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 35 |