2-[5-(methoxymethyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid

C11H11N3O4 — CID 76901434

IUPAC2-[5-(methoxymethyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid
SMILESCOCc1cc(=O)n(-c2cc(C(=O)O)ccn2)[nH]1
InChIInChI=1S/C11H11N3O4/c1-18-6-8-5-10(15)14(13-8)9-4-7(11(16)17)2-3-12-9/h2-5,13H,6H2,1H3,(H,16,17)
InChIKeyJITAGEPIWBGPQU-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.41
Rot. Bonds4

About 2-[5-(methoxymethyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid

2-[5-(methoxymethyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid (PubChem CID 76901434) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[5-(methoxymethyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid
PubChem CID76901434
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name2-[5-(methoxymethyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid
SMILESCOCc1cc(=O)n(-c2cc(C(=O)O)ccn2)[nH]1
InChIInChI=1S/C11H11N3O4/c1-18-6-8-5-10(15)14(13-8)9-4-7(11(16)17)2-3-12-9/h2-5,13H,6H2,1H3,(H,16,17)
InChIKeyJITAGEPIWBGPQU-UHFFFAOYSA-N
XLogP0.41
TPSA97.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methoxymethyl)-2-(6-methylpyrimidin-4-yl)-1H-pyrazol-3-one
CID 66020684
2-(5-cyclopropyl-3-oxo-1H-pyrazol-2-yl)pyridine-4-carboxylic acid
CID 76901427
2-[5-(2-fluorophenyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid
CID 76901430
2-[5-[(4-fluorophenyl)methoxy]-4-methylpyrazol-1-yl]pyridine-4-carboxylic acid
CID 90204893
2-(4-methylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 6484238
2-[4-[(Z)-1-amino-3,3,3-trifluoro-2-hydrazinylprop-1-enyl]-2-pyridinyl]-5-[(4-chlorophenyl)methyl]-1H-pyrazol-3-one
CID 166932919
2-[5-[3-(4-fluorophenyl)propoxy]pyrazol-1-yl]pyridine-4-carboxylic acid
CID 118126981
2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 93394486
2-ethyl-5-(methoxymethyl)-1H-pyrazol-3-one
CID 66021908
methyl 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylate
CID 102143711
3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid
CID 86705136
2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]pyridine-4-carboxylic acid
CID 66156619

Frequently Asked Questions

What is the IUPAC name of 2-[5-(methoxymethyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[5-(methoxymethyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid (CID 76901434) is 2-[5-(methoxymethyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[5-(methoxymethyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[5-(methoxymethyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid is COCc1cc(=O)n(-c2cc(C(=O)O)ccn2)[nH]1.
What is the InChIKey of 2-[5-(methoxymethyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid?
The InChIKey is JITAGEPIWBGPQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-18-6-8-5-10(15)14(13-8)9-4-7(11(16)17)2-3-12-9/h2-5,13H,6H2,1H3,(H,16,17).
What are the key properties of 2-[5-(methoxymethyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid?
2-[5-(methoxymethyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid has a molecular weight of 249.23 g/mol, XLogP of 0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 76901434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).