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-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid

C52H52F2N20O15 — CID 158907857

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-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid
SMILESCOc1cncnc1-c1cnn(C)c1C(=O)CO.COc1cncnc1-c1cnn(C)c1C(=O)O.COc1ncc(F)c(-c2cnn(C)c2C(=O)CO)n1.COc1ncc(F)c(-c2cnn(C)c2C(=O)O)n1.COc1nccc(-c2cnn(C)c2C(=O)O)n1
InChIInChI=1S/C11H11FN4O3.C11H12N4O3.C10H9FN4O3.2C10H10N4O3/c1-16-10(8(18)5-17)6(3-14-16)9-7(12)4-13-11(15-9)19-2;1-15-11(8(17)5-16)7(3-14-15)10-9(18-2)4-12-6-13-10;1-15-8(9(16)17)5(3-13-15)7-6(11)4-12-10(14-7)18-2;1-14-9(10(15)16)6(3-13-14)8-7(17-2)4-11-5-12-8;1-14-8(9(15)16)6(5-12-14)7-3-4-11-10(13-7)17-2/h3-4,17H,5H2,1-2H3;3-4,6,16H,5H2,1-2H3;3-4H,1-2H3,(H,16,17);2*3-5H,1-2H3,(H,15,16)
InChIKeyJGGSDDAHWUTNDM-UHFFFAOYSA-N
MW1235.11 g/mol
LogP2.15
Rot. Bonds17

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-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-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-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid (PubChem CID 158907857) has the molecular formula C52H52F2N20O15 and a molecular weight of 1235.11 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-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-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-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid
PubChem CID158907857
Molecular FormulaC52H52F2N20O15
Molecular Weight1235.11 g/mol
Exact Mass1234.39
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-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid
SMILESCOc1cncnc1-c1cnn(C)c1C(=O)CO.COc1cncnc1-c1cnn(C)c1C(=O)O.COc1ncc(F)c(-c2cnn(C)c2C(=O)CO)n1.COc1ncc(F)c(-c2cnn(C)c2C(=O)O)n1.COc1nccc(-c2cnn(C)c2C(=O)O)n1
InChIInChI=1S/C11H11FN4O3.C11H12N4O3.C10H9FN4O3.2C10H10N4O3/c1-16-10(8(18)5-17)6(3-14-16)9-7(12)4-13-11(15-9)19-2;1-15-11(8(17)5-16)7(3-14-15)10-9(18-2)4-12-6-13-10;1-15-8(9(16)17)5(3-13-15)7-6(11)4-12-10(14-7)18-2;1-14-9(10(15)16)6(3-13-14)8-7(17-2)4-11-5-12-8;1-14-8(9(15)16)6(5-12-14)7-3-4-11-10(13-7)17-2/h3-4,17H,5H2,1-2H3;3-4,6,16H,5H2,1-2H3;3-4H,1-2H3,(H,16,17);2*3-5H,1-2H3,(H,15,16)
InChIKeyJGGSDDAHWUTNDM-UHFFFAOYSA-N
XLogP2.15
TPSA450.65 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds17
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001235.11
LogP ≤ 52.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

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-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid with MolForge

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Related Compounds

Trisodium;4-(4,6-dimethyl-2-pyridinyl)-1-methylpyrazole-5-carboxylate;4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;4-(3-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid
CID 157653653
Disodium;4-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-hydroxy-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;4-(3-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxylate;1-methyl-4-(6-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylic acid
CID 157867648
4-(5,6-Dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-2-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(2,5,6-trimethylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(2,5,6-trimethylpyrimidin-4-yl)pyrazole-5-carboxylic acid
CID 157178344
2-Hydroxy-1-[4-(2-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyridazin-3-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methylpyridazin-3-yl)pyrazole-5-carboxylic acid;1-methyl-4-(2-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid
CID 157269337
4-(5-Chloropyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-chloropyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(2,6-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(2,6-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(6-methoxy-5-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone
CID 157288929
4-(5-Cyano-2-pyridinyl)-1-methylpyrazole-5-carboxylic acid;4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(4-methylpyridazin-3-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(2-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(4-methylpyridazin-3-yl)pyrazole-5-carboxylic acid
CID 157400068
4-(2,6-Dimethoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;4-(5-fluoro-6-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-6-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(6-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid
CID 157529025
4-(4,6-Dimethylpyrimidin-2-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(4,6-dimethylpyrimidin-2-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(5-methylpyridazin-3-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(6-methylpyridazin-3-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyridazin-3-yl)pyrazole-5-carboxylic acid;1-methyl-4-(6-methylpyridazin-3-yl)pyrazole-5-carboxylic acid
CID 157676207
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-(3-methoxypyrazin-2-yl)-1-methylpyrazole-5-carboxylic acid;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid
CID 157889450
4-(5-Fluoro-6-methylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-[4-(5-fluoro-6-methylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[1-methyl-4-(6-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;1-methyl-4-(6-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid;1-methyl-4-(2,5,6-trimethylpyrimidin-4-yl)pyrazole-5-carboxylic acid
CID 157943335
1-[4-(5,6-Dimethylpyrimidin-4-yl)-1-methylpyrazol-5-yl]-2-hydroxyethanone;2-hydroxy-1-[4-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(5-methylpyrimidin-4-yl)pyrazol-5-yl]ethanone;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(5-methylpyrimidin-4-yl)pyrazole-5-carboxylic acid
CID 158026267
4-(4,6-Dimethylpyrimidin-2-yl)-1-methylpyrazole-5-carboxylic acid;2-hydroxy-1-[1-methyl-4-(5-methylpyridazin-3-yl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(6-methylpyridazin-3-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyridazin-3-yl)pyrazole-5-carboxylic acid;1-methyl-4-(6-methylpyridazin-3-yl)pyrazole-5-carboxylic acid
CID 158031967

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-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-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-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid (CID 158907857) 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-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-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-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-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-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid is COc1cncnc1-c1cnn(C)c1C(=O)CO.COc1cncnc1-c1cnn(C)c1C(=O)O.COc1ncc(F)c(-c2cnn(C)c2C(=O)CO)n1.COc1ncc(F)c(-c2cnn(C)c2C(=O)O)n1.COc1nccc(-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-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is JGGSDDAHWUTNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O3.C11H12N4O3.C10H9FN4O3.2C10H10N4O3/c1-16-10(8(18)5-17)6(3-14-16)9-7(12)4-13-11(15-9)19-2;1-15-11(8(17)5-16)7(3-14-15)10-9(18-2)4-12-6-13-10;1-15-8(9(16)17)5(3-13-15)7-6(11)4-12-10(14-7)18-2;1-14-9(10(15)16)6(3-13-14)8-7(17-2)4-11-5-12-8;1-14-8(9(15)16)6(5-12-14)7-3-4-11-10(13-7)17-2/h3-4,17H,5H2,1-2H3;3-4,6,16H,5H2,1-2H3;3-4H,1-2H3,(H,16,17);2*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-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-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-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid has a molecular weight of 1235.11 g/mol, XLogP of 2.15, 17 rotatable bonds, 5 hydrogen bond donors, and 32 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-(5-methoxypyrimidin-4-yl)-1-methylpyrazol-5-yl]ethanone;4-(2-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid;4-(5-methoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 158907857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).