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

C11H11N3O3 — CID 118139962

IUPAC1-(1,5-dimethylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(-n2cccc(C(=O)O)c2=O)nn1C
InChIInChI=1S/C11H11N3O3/c1-7-6-9(12-13(7)2)14-5-3-4-8(10(14)15)11(16)17/h3-6H,1-2H3,(H,16,17)
InChIKeyPBCDAZNPWDJLQC-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.58
Rot. Bonds2

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

1-(1,5-dimethylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid (PubChem CID 118139962) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid
PubChem CID118139962
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name1-(1,5-dimethylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid
SMILESCc1cc(-n2cccc(C(=O)O)c2=O)nn1C
InChIInChI=1S/C11H11N3O3/c1-7-6-9(12-13(7)2)14-5-3-4-8(10(14)15)11(16)17/h3-6H,1-2H3,(H,16,17)
InChIKeyPBCDAZNPWDJLQC-UHFFFAOYSA-N
XLogP0.58
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-oxo-4H,5H-pyrazolo(1,5-a)pyrimidine-6-carboxylic acid
CID 135621785
Methyl 1-(1,5-dimethyl-1H-pyrazol-3-yl)-1,2-dihydro-2-oxo-3-pyridinecarboxylate
CID 118139932
Tert-butyl-[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]carbamic acid
CID 118140655
1-(1-Cyclopropylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid
CID 137450423
2-Oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylic acid
CID 137450605
Methyl 2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate
CID 137450608
Methyl 4-(methoxymethyl)-2-oxo-1-(1,4,5-trimethylpyrazol-3-yl)pyridine-3-carboxylate
CID 139373588
1-(1,5-Dimethylpyrazol-3-yl)-3-methylpyridin-2-one
CID 144862566
1-(1,5-Dimethylpyrazol-3-yl)pyridin-2-one
CID 153960124
tert-butyl N-[1-(1,5-dimethylpyrazol-3-yl)-2-oxo-3-pyridinyl]carbamate;1-(1,5-dimethylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid
CID 157090757
1-(1,5-Dimethylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid;methyl 1-(1,5-dimethylpyrazol-3-yl)-2-oxopyridine-3-carboxylate
CID 160238788
Methyl 1-(1,5-dimethylpyrazol-3-yl)-2-oxopyridine-3-carboxylate;methyl 2-oxopyran-3-carboxylate
CID 160342058

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(1,5-dimethylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid (CID 118139962) is 1-(1,5-dimethylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(1,5-dimethylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid is Cc1cc(-n2cccc(C(=O)O)c2=O)nn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid?
The InChIKey is PBCDAZNPWDJLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-7-6-9(12-13(7)2)14-5-3-4-8(10(14)15)11(16)17/h3-6H,1-2H3,(H,16,17).
What are the key properties of 1-(1,5-dimethylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid?
1-(1,5-dimethylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-3-yl)-2-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 118139962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).