5-ethyl-4-hydroxy-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid

C24H26N6O7 — CID 118949216

About 5-ethyl-4-hydroxy-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid

5-ethyl-4-hydroxy-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 118949216) has the molecular formula C24H26N6O7 and a molecular weight of 510.51 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-ethyl-4-hydroxy-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid
• PubChem CID: 118949216
• Molecular Formula: C24H26N6O7
• Molecular Weight: 510.51 g/mol
• Exact Mass: 510.19
• IUPAC Name: 5-ethyl-4-hydroxy-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid
• SMILES: CCc1c(-c2ccnn2C)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccnn1C
• InChI: InChI=1S/C12H13N3O4.C12H13N3O3/c1-3-6-9(7-4-5-13-15(7)2)14-11(17)8(10(6)16)12(18)19;1-3-7-6-8(12(17)18)11(16)14-10(7)9-4-5-13-15(9)2/h4-5H,3H2,1-2H3,(H,18,19)(H2,14,16,17);4-6H,3H2,1-2H3,(H,14,16)(H,17,18)
• InChIKey: AACXWQZZHOEBRI-UHFFFAOYSA-N
• XLogP: 1.78
• TPSA: 196.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.51
LogP ≤ 5	1.78
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid?

The IUPAC name of 5-ethyl-4-hydroxy-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 118949216) is 5-ethyl-4-hydroxy-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid.

What is the SMILES notation for 5-ethyl-4-hydroxy-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid?

The canonical SMILES for 5-ethyl-4-hydroxy-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccnn2C)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccnn1C.

What is the InChIKey of 5-ethyl-4-hydroxy-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid?

The InChIKey is AACXWQZZHOEBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4.C12H13N3O3/c1-3-6-9(7-4-5-13-15(7)2)14-11(17)8(10(6)16)12(18)19;1-3-7-6-8(12(17)18)11(16)14-10(7)9-4-5-13-15(9)2/h4-5H,3H2,1-2H3,(H,18,19)(H2,14,16,17);4-6H,3H2,1-2H3,(H,14,16)(H,17,18).

What are the key properties of 5-ethyl-4-hydroxy-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid?

5-ethyl-4-hydroxy-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 510.51 g/mol, XLogP of 1.78, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-4-hydroxy-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(2-methylpyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 118949216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).