1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid

C11H12N4O2 — CID 134397701

IUPAC1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(-n2nc(C(=O)O)cc2C)nc(C)n1
InChIInChI=1S/C11H12N4O2/c1-6-4-10(13-8(3)12-6)15-7(2)5-9(14-15)11(16)17/h4-5H,1-3H3,(H,16,17)
InChIKeyKXEYQLXBVAOTFC-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.29
Rot. Bonds2

About 1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid

1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid (PubChem CID 134397701) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid
PubChem CID134397701
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid
SMILESCc1cc(-n2nc(C(=O)O)cc2C)nc(C)n1
InChIInChI=1S/C11H12N4O2/c1-6-4-10(13-8(3)12-6)15-7(2)5-9(14-15)11(16)17/h4-5H,1-3H3,(H,16,17)
InChIKeyKXEYQLXBVAOTFC-UHFFFAOYSA-N
XLogP1.29
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

lithium;(2,6-dimethylpyrimidin-4-yl)hydrazine;1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid;ethyl 2,4-dioxopentanoate;methane;methyl 1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxylate;hydroxide;hydrate
CID 161068026
5-methyl-1-(5-methyl-1H-pyrazol-3-yl)pyrazole-3-carboxylic acid
CID 102514136
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
4,6-bis(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 102051125
1-(2,6-dimethylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 82081789
5-methyl-1-(2,3,5,6-tetrafluorophenyl)pyrazole-3-carboxylic acid
CID 107645273
1-(4-bromo-3,5-dimethylphenyl)-5-methylpyrazole-3-carboxylic acid
CID 107575693
5-methyl-1-(3-methylphenyl)pyrazole-3-carboxylic acid
CID 22831928
5-methyl-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylic acid
CID 52982933
1,5-dimethylpyrazole-3-carboxylic acid;iridium
CID 59657074
1-amino-5-methylpyrazole-3-carboxylic acid
CID 22099274
4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
CID 762223

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid?
The IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid (CID 134397701) is 1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid is Cc1cc(-n2nc(C(=O)O)cc2C)nc(C)n1.
What is the InChIKey of 1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid?
The InChIKey is KXEYQLXBVAOTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-6-4-10(13-8(3)12-6)15-7(2)5-9(14-15)11(16)17/h4-5H,1-3H3,(H,16,17).
What are the key properties of 1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid?
1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpyrimidin-4-yl)-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 134397701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).