2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylic acid

C11H12N4O2 — CID 79015205

IUPAC2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylic acid
SMILESCc1cc(C)n(-c2ncc(C(=O)O)c(C)n2)n1
InChIInChI=1S/C11H12N4O2/c1-6-4-7(2)15(14-6)11-12-5-9(10(16)17)8(3)13-11/h4-5H,1-3H3,(H,16,17)
InChIKeyYOACJKCEISJWFK-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.29
Rot. Bonds2

About 2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylic acid

2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylic acid (PubChem CID 79015205) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylic acid
PubChem CID79015205
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylic acid
SMILESCc1cc(C)n(-c2ncc(C(=O)O)c(C)n2)n1
InChIInChI=1S/C11H12N4O2/c1-6-4-7(2)15(14-6)11-12-5-9(10(16)17)8(3)13-11/h4-5H,1-3H3,(H,16,17)
InChIKeyYOACJKCEISJWFK-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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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylic acid (CID 79015205) is 2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylic acid is Cc1cc(C)n(-c2ncc(C(=O)O)c(C)n2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is YOACJKCEISJWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-6-4-7(2)15(14-6)11-12-5-9(10(16)17)8(3)13-11/h4-5H,1-3H3,(H,16,17).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylic acid?
2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-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 2-(3,5-dimethylpyrazol-1-yl)-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 79015205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).