4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid

C11H12N4O4 — CID 90383281

IUPAC4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid
SMILESCOc1cc(-c2cnn(C)c2C(=O)O)nc(OC)n1
InChIInChI=1S/C11H12N4O4/c1-15-9(10(16)17)6(5-12-15)7-4-8(18-2)14-11(13-7)19-3/h4-5H,1-3H3,(H,16,17)
InChIKeyUEWNLBWJIQNUHI-UHFFFAOYSA-N
MW264.24 g/mol
LogP0.59
Rot. Bonds4

About 4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid

4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid (PubChem CID 90383281) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid
PubChem CID90383281
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid
SMILESCOc1cc(-c2cnn(C)c2C(=O)O)nc(OC)n1
InChIInChI=1S/C11H12N4O4/c1-15-9(10(16)17)6(5-12-15)7-4-8(18-2)14-11(13-7)19-3/h4-5H,1-3H3,(H,16,17)
InChIKeyUEWNLBWJIQNUHI-UHFFFAOYSA-N
XLogP0.59
TPSA99.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-1-methylpyrazole-5-carboxylic acid
CID 46398720
4-(2,3-dimethoxyphenyl)-1-methylpyrazole-5-carboxylic acid
CID 122558064
1-methyl-4-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxylic acid
CID 155912394
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
5,7-dimethoxy-2-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 10657498
1-methylpyrazole-4,5-dicarboxylic acid
CID 19623309
4-(4-tert-butylphenyl)-1-methylpyrazole-5-carboxylic acid
CID 82372837
1-methyl-4-(3-methylpyrazin-2-yl)pyrazole-5-carboxylic acid
CID 90383381
4-chloro-1-methylpyrazole-5-carboxylic acid
CID 670823
4-(2,6-dimethoxypyrimidin-4-yl)-N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 126444191
1-methyl-4-[5-[(2-methylpropan-2-yl)oxycarbonyl]pyrimidin-2-yl]pyrazole-5-carboxylic acid
CID 170566089
3-(4,6-dimethoxypyrimidin-2-yl)oxy-5-methylfuran-2-carboxylic acid
CID 22401097

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid (CID 90383281) is 4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid is COc1cc(-c2cnn(C)c2C(=O)O)nc(OC)n1.
What is the InChIKey of 4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is UEWNLBWJIQNUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-15-9(10(16)17)6(5-12-15)7-4-8(18-2)14-11(13-7)19-3/h4-5H,1-3H3,(H,16,17).
What are the key properties of 4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid?
4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid has a molecular weight of 264.24 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethoxypyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 90383281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).