1-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopyridine-3-carboxylic acid

C12H13N3O3 — CID 107464583

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopyridine-3-carboxylic acid
SMILESCCc1nn(C)cc1-n1cc(C(=O)O)ccc1=O
InChIInChI=1S/C12H13N3O3/c1-3-9-10(7-14(2)13-9)15-6-8(12(17)18)4-5-11(15)16/h4-7H,3H2,1-2H3,(H,17,18)
InChIKeyXXVLMQDSDKIQCK-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.83
Rot. Bonds3

About 1-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopyridine-3-carboxylic acid

1-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopyridine-3-carboxylic acid (PubChem CID 107464583) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopyridine-3-carboxylic acid
PubChem CID107464583
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopyridine-3-carboxylic acid
SMILESCCc1nn(C)cc1-n1cc(C(=O)O)ccc1=O
InChIInChI=1S/C12H13N3O3/c1-3-9-10(7-14(2)13-9)15-6-8(12(17)18)4-5-11(15)16/h4-7H,3H2,1-2H3,(H,17,18)
InChIKeyXXVLMQDSDKIQCK-UHFFFAOYSA-N
XLogP0.83
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carboxylic acid
CID 107464233
3-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-4-carboxylic acid
CID 107464232
3-(3-ethyl-1-methylpyrazol-4-yl)thiophene-2-carboxylic acid
CID 66009716
3-chloro-4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]benzoic acid
CID 115991762
4-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-3-fluorobenzoic acid
CID 115991752
3-chloro-5-(3-ethyl-1-methylpyrazol-4-yl)benzoic acid
CID 107957714
1-(2-chloro-5-methylphenyl)-6-oxopyridine-3-carboxylic acid
CID 107638921
methyl 1-(3-cyclopropyl-1-methylpyrazol-4-yl)-6-oxopyridine-3-carboxylate
CID 166563672
3-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 102810224
3-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzimidazole-4-carboxylic acid
CID 107464237
4-fluoro-3-(1-methyl-3-propylpyrazol-4-yl)benzoic acid
CID 114020659
1-(3-ethyl-1-methylpyrazol-4-yl)-2,4-dimethyl-6-oxopiperidine-3-carboxylic acid
CID 107464738

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopyridine-3-carboxylic acid (CID 107464583) is 1-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopyridine-3-carboxylic acid is CCc1nn(C)cc1-n1cc(C(=O)O)ccc1=O.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopyridine-3-carboxylic acid?
The InChIKey is XXVLMQDSDKIQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-3-9-10(7-14(2)13-9)15-6-8(12(17)18)4-5-11(15)16/h4-7H,3H2,1-2H3,(H,17,18).
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopyridine-3-carboxylic acid?
1-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopyridine-3-carboxylic acid has a molecular weight of 247.25 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 107464583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).