2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid

C11H11N3O3 — CID 76901428

IUPAC2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid
SMILESCc1[nH]n(-c2cc(C(=O)O)ccn2)c(=O)c1C
InChIInChI=1S/C11H11N3O3/c1-6-7(2)13-14(10(6)15)9-5-8(11(16)17)3-4-12-9/h3-5,13H,1-2H3,(H,16,17)
InChIKeyWVXUJPCABRKGEQ-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.88
Rot. Bonds2

About 2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid

2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid (PubChem CID 76901428) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid
PubChem CID76901428
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid
SMILESCc1[nH]n(-c2cc(C(=O)O)ccn2)c(=O)c1C
InChIInChI=1S/C11H11N3O3/c1-6-7(2)13-14(10(6)15)9-5-8(11(16)17)3-4-12-9/h3-5,13H,1-2H3,(H,16,17)
InChIKeyWVXUJPCABRKGEQ-UHFFFAOYSA-N
XLogP0.88
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid (CID 76901428) is 2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid is Cc1[nH]n(-c2cc(C(=O)O)ccn2)c(=O)c1C.
What is the InChIKey of 2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid?
The InChIKey is WVXUJPCABRKGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-6-7(2)13-14(10(6)15)9-5-8(11(16)17)3-4-12-9/h3-5,13H,1-2H3,(H,16,17).
What are the key properties of 2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid?
2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 76901428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).