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

C11H12N4O2 — CID 90383428

IUPAC4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid
SMILESCc1ncc(C)c(-c2cnn(C)c2C(=O)O)n1
InChIInChI=1S/C11H12N4O2/c1-6-4-12-7(2)14-9(6)8-5-13-15(3)10(8)11(16)17/h4-5H,1-3H3,(H,16,17)
InChIKeyTVXPRGZNGSZBTB-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.19
Rot. Bonds2

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

4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid (PubChem CID 90383428) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid
PubChem CID90383428
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid
SMILESCc1ncc(C)c(-c2cnn(C)c2C(=O)O)n1
InChIInChI=1S/C11H12N4O2/c1-6-4-12-7(2)14-9(6)8-5-13-15(3)10(8)11(16)17/h4-5H,1-3H3,(H,16,17)
InChIKeyTVXPRGZNGSZBTB-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid (CID 90383428) is 4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid is Cc1ncc(C)c(-c2cnn(C)c2C(=O)O)n1.
What is the InChIKey of 4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is TVXPRGZNGSZBTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-6-4-12-7(2)14-9(6)8-5-13-15(3)10(8)11(16)17/h4-5H,1-3H3,(H,16,17).
What are the key properties of 4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid?
4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrimidin-4-yl)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 90383428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).