4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid
C63H64F2N24O17 — CID 158853678
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid
SMILESCOc1ncc(F)c(-c2cnn(C)c2C(=O)CO)n1.COc1ncc(F)c(-c2cnn(C)c2C(=O)O)n1.COc1nccc(-c2cnn(C)c2C(=O)CO)n1.COc1nccc(-c2cnn(C)c2C(=O)O)n1.COc1nccnc1-c1cnn(C)c1C(=O)CO.Cc1nccc(-c2cnn(C)c2C(=O)O)n1
InChIInChI=1S/C11H11FN4O3.2C11H12N4O3.C10H9FN4O3.C10H10N4O3.C10H10N4O2/c1-16-10(8(18)5-17)6(3-14-16)9-7(12)4-13-11(15-9)19-2;1-15-10(8(17)6-16)7(5-14-15)9-11(18-2)13-4-3-12-9;1-15-10(9(17)6-16)7(5-13-15)8-3-4-12-11(14-8)18-2;1-15-8(9(16)17)5(3-13-15)7-6(11)4-12-10(14-7)18-2;1-14-8(9(15)16)6(5-12-14)7-3-4-11-10(13-7)17-2;1-6-11-4-3-8(13-6)7-5-12-14(2)9(7)10(15)16/h3-4,17H,5H2,1-2H3;2*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)
InChIKeyIZTSLEXIKOPRSV-UHFFFAOYSA-N
MW1467.35 g/mol
LogP2.51
Rot. Bonds20
About 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid
4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid (PubChem CID 158853678) has the molecular formula C63H64F2N24O17 and a molecular weight of 1467.35 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid.
Molecular Properties
| Compound Name | 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid |
|---|---|
| PubChem CID | 158853678 |
| Molecular Formula | C63H64F2N24O17 |
| Molecular Weight | 1467.35 g/mol |
| Exact Mass | 1466.48 |
| IUPAC Name | 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid |
| SMILES | COc1ncc(F)c(-c2cnn(C)c2C(=O)CO)n1.COc1ncc(F)c(-c2cnn(C)c2C(=O)O)n1.COc1nccc(-c2cnn(C)c2C(=O)CO)n1.COc1nccc(-c2cnn(C)c2C(=O)O)n1.COc1nccnc1-c1cnn(C)c1C(=O)CO.Cc1nccc(-c2cnn(C)c2C(=O)O)n1 |
| InChI | InChI=1S/C11H11FN4O3.2C11H12N4O3.C10H9FN4O3.C10H10N4O3.C10H10N4O2/c1-16-10(8(18)5-17)6(3-14-16)9-7(12)4-13-11(15-9)19-2;1-15-10(8(17)6-16)7(5-14-15)9-11(18-2)13-4-3-12-9;1-15-10(9(17)6-16)7(5-13-15)8-3-4-12-11(14-8)18-2;1-15-8(9(16)17)5(3-13-15)7-6(11)4-12-10(14-7)18-2;1-14-8(9(15)16)6(5-12-14)7-3-4-11-10(13-7)17-2;1-6-11-4-3-8(13-6)7-5-12-14(2)9(7)10(15)16/h3-4,17H,5H2,1-2H3;2*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 | IZTSLEXIKOPRSV-UHFFFAOYSA-N |
| XLogP | 2.51 |
| TPSA | 531.55 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 20 |
| Heavy Atoms | 106 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1467.35 |
| LogP ≤ 5 | 2.51 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 38 |
Frequently Asked Questions
What is the IUPAC name of 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid?
The IUPAC name of 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid (CID 158853678) is 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid.
What is the SMILES notation for 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid?
The canonical SMILES for 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid is COc1ncc(F)c(-c2cnn(C)c2C(=O)CO)n1.COc1ncc(F)c(-c2cnn(C)c2C(=O)O)n1.COc1nccc(-c2cnn(C)c2C(=O)CO)n1.COc1nccc(-c2cnn(C)c2C(=O)O)n1.COc1nccnc1-c1cnn(C)c1C(=O)CO.Cc1nccc(-c2cnn(C)c2C(=O)O)n1.
What is the InChIKey of 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid?
The InChIKey is IZTSLEXIKOPRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O3.2C11H12N4O3.C10H9FN4O3.C10H10N4O3.C10H10N4O2/c1-16-10(8(18)5-17)6(3-14-16)9-7(12)4-13-11(15-9)19-2;1-15-10(8(17)6-16)7(5-14-15)9-11(18-2)13-4-3-12-9;1-15-10(9(17)6-16)7(5-13-15)8-3-4-12-11(14-8)18-2;1-15-8(9(16)17)5(3-13-15)7-6(11)4-12-10(14-7)18-2;1-14-8(9(15)16)6(5-12-14)7-3-4-11-10(13-7)17-2;1-6-11-4-3-8(13-6)7-5-12-14(2)9(7)10(15)16/h3-4,17H,5H2,1-2H3;2*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).
What are the key properties of 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid?
4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid has a molecular weight of 1467.35 g/mol, XLogP of 2.51, 20 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(3-methoxypyrazin-2-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid is sourced from PubChem (CID 158853678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158853678 — identifiers, structure, computed properties (public domain)
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