2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylic acid

C12H13N3O3 — CID 137450605

IUPAC2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylic acid
SMILESCc1c(-n2cccc(C(=O)O)c2=O)nn(C)c1C
InChIInChI=1S/C12H13N3O3/c1-7-8(2)14(3)13-10(7)15-6-4-5-9(11(15)16)12(17)18/h4-6H,1-3H3,(H,17,18)
InChIKeyJEAWAPFJRXTYTK-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.89
Rot. Bonds2

About 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylic acid

2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylic acid (PubChem CID 137450605) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylic acid
PubChem CID137450605
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylic acid
SMILESCc1c(-n2cccc(C(=O)O)c2=O)nn(C)c1C
InChIInChI=1S/C12H13N3O3/c1-7-8(2)14(3)13-10(7)15-6-4-5-9(11(15)16)12(17)18/h4-6H,1-3H3,(H,17,18)
InChIKeyJEAWAPFJRXTYTK-UHFFFAOYSA-N
XLogP0.89
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylic acid?
The IUPAC name of 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylic acid (CID 137450605) is 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylic acid?
The canonical SMILES for 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylic acid is Cc1c(-n2cccc(C(=O)O)c2=O)nn(C)c1C.
What is the InChIKey of 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylic acid?
The InChIKey is JEAWAPFJRXTYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-7-8(2)14(3)13-10(7)15-6-4-5-9(11(15)16)12(17)18/h4-6H,1-3H3,(H,17,18).
What are the key properties of 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylic acid?
2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylic acid is sourced from PubChem (CID 137450605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).