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

C53H56N20O10 — CID 158031967

IUPAC4-(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
SMILESCc1cc(C)nc(-c2cnn(C)c2C(=O)O)n1.Cc1ccc(-c2cnn(C)c2C(=O)CO)nn1.Cc1ccc(-c2cnn(C)c2C(=O)O)nn1.Cc1cnnc(-c2cnn(C)c2C(=O)CO)c1.Cc1cnnc(-c2cnn(C)c2C(=O)O)c1
InChIInChI=1S/3C11H12N4O2.2C10H10N4O2/c1-7-3-9(14-12-4-7)8-5-13-15(2)11(8)10(17)6-16;1-6-4-7(2)14-10(13-6)8-5-12-15(3)9(8)11(16)17;1-7-3-4-9(14-13-7)8-5-12-15(2)11(8)10(17)6-16;1-6-3-8(13-11-4-6)7-5-12-14(2)9(7)10(15)16;1-6-3-4-8(13-12-6)7-5-11-14(2)9(7)10(15)16/h3-5,16H,6H2,1-2H3;4-5H,1-3H3,(H,16,17);3-5,16H,6H2,1-2H3;2*3-5H,1-2H3,(H,15,16)
InChIKeyFHHCXYUGZPUZCV-UHFFFAOYSA-N
MW1133.16 g/mol
LogP3.68
Rot. Bonds12

About 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

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 (PubChem CID 158031967) has the molecular formula C53H56N20O10 and a molecular weight of 1133.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID158031967
Molecular FormulaC53H56N20O10
Molecular Weight1133.16 g/mol
Exact Mass1132.45
IUPAC Name4-(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
SMILESCc1cc(C)nc(-c2cnn(C)c2C(=O)O)n1.Cc1ccc(-c2cnn(C)c2C(=O)CO)nn1.Cc1ccc(-c2cnn(C)c2C(=O)O)nn1.Cc1cnnc(-c2cnn(C)c2C(=O)CO)c1.Cc1cnnc(-c2cnn(C)c2C(=O)O)c1
InChIInChI=1S/3C11H12N4O2.2C10H10N4O2/c1-7-3-9(14-12-4-7)8-5-13-15(2)11(8)10(17)6-16;1-6-4-7(2)14-10(13-6)8-5-12-15(3)9(8)11(16)17;1-7-3-4-9(14-13-7)8-5-12-15(2)11(8)10(17)6-16;1-6-3-8(13-11-4-6)7-5-12-14(2)9(7)10(15)16;1-6-3-4-8(13-12-6)7-5-11-14(2)9(7)10(15)16/h3-5,16H,6H2,1-2H3;4-5H,1-3H3,(H,16,17);3-5,16H,6H2,1-2H3;2*3-5H,1-2H3,(H,15,16)
InChIKeyFHHCXYUGZPUZCV-UHFFFAOYSA-N
XLogP3.68
TPSA404.50 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds12
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001133.16
LogP ≤ 53.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze 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 with MolForge

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Related Compounds

Tetrakis(3,5-dimethyl-2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazine);tris(iridium);iridium(3+);pentane-2,4-diol;3-phenyl-5-phenyl-2,4-diaza-1-azanidacyclopenta-2,4-diene;1-[pyrazol-2-ium-1-id-2-yl-di(pyrazol-1-yl)methyl]pyrazole;pyridine-2-carboxylic acid
CID 159361682
Bis(2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylate);bis(2-pyridin-2-ylpyridine);2-pyrimidin-2-ylpyrimidine;ruthenium
CID 59141261
Methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methyl-3-phenylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methyl-3-phenylpyrazole-4-carboxylate;methyl 5-[[5-amino-1-[6-[5-amino-4-[[4-(2-hydroxyacetyl)-1-methyl-3-pyridin-2-ylpyrazol-5-yl]diazenyl]-3-methylpyrazol-1-yl]pyrimidin-4-yl]-3-methylpyrazol-4-yl]diazenyl]-1-methyl-3-pyridin-2-ylpyrazole-4-carboxylate
CID 137024797
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
Sodium;4-(4-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxylate;2-hydroxy-1-[1-methyl-4-(3-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-hydroxy-1-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-5-yl]ethanone;1-methyl-4-(5-methylpyrazin-2-yl)pyrazole-5-carboxylic acid;1-methyl-4-(3-methyl-2-pyridinyl)pyrazole-5-carboxylic acid;1-methyl-4-(6-methyl-2-pyridinyl)pyrazole-5-carboxylic acid
CID 157697071
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
CID 157903590
CID 157903590

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)nc(-c2cnn(C)c2C(=O)O)n1.Cc1ccc(-c2cnn(C)c2C(=O)CO)nn1.Cc1ccc(-c2cnn(C)c2C(=O)O)nn1.Cc1cnnc(-c2cnn(C)c2C(=O)CO)c1.Cc1cnnc(-c2cnn(C)c2C(=O)O)c1.
What is the InChIKey of 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?
The InChIKey is FHHCXYUGZPUZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H12N4O2.2C10H10N4O2/c1-7-3-9(14-12-4-7)8-5-13-15(2)11(8)10(17)6-16;1-6-4-7(2)14-10(13-6)8-5-12-15(3)9(8)11(16)17;1-7-3-4-9(14-13-7)8-5-12-15(2)11(8)10(17)6-16;1-6-3-8(13-11-4-6)7-5-12-14(2)9(7)10(15)16;1-6-3-4-8(13-12-6)7-5-11-14(2)9(7)10(15)16/h3-5,16H,6H2,1-2H3;4-5H,1-3H3,(H,16,17);3-5,16H,6H2,1-2H3;2*3-5H,1-2H3,(H,15,16).
What are the key properties of 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?
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 has a molecular weight of 1133.16 g/mol, XLogP of 3.68, 12 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158031967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).