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

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 Name4-(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 CID158853678
Molecular FormulaC63H64F2N24O17
Molecular Weight1467.35 g/mol
Exact Mass1466.48
IUPAC Name4-(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
XLogP2.51
TPSA531.55 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds20
Heavy Atoms106
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001467.35
LogP ≤ 52.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Analyze 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 with MolForge

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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).