2-[2-oxo-2-(pyridin-4-ylamino)ethyl]pyrazole-3-carboxylic acid

C11H10N4O3 — CID 19482824

IUPAC2-[2-oxo-2-(pyridin-4-ylamino)ethyl]pyrazole-3-carboxylic acid
SMILESO=C(Cn1nccc1C(=O)O)Nc1ccncc1
InChIInChI=1S/C11H10N4O3/c16-10(14-8-1-4-12-5-2-8)7-15-9(11(17)18)3-6-13-15/h1-6H,7H2,(H,17,18)(H,12,14,16)
InChIKeyOHERMDVZFNRGQZ-UHFFFAOYSA-N
MW246.23 g/mol
LogP0.62
Rot. Bonds4

About 2-[2-oxo-2-(pyridin-4-ylamino)ethyl]pyrazole-3-carboxylic acid

2-[2-oxo-2-(pyridin-4-ylamino)ethyl]pyrazole-3-carboxylic acid (PubChem CID 19482824) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 2-[2-oxo-2-(pyridin-4-ylamino)ethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(pyridin-4-ylamino)ethyl]pyrazole-3-carboxylic acid
PubChem CID19482824
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name2-[2-oxo-2-(pyridin-4-ylamino)ethyl]pyrazole-3-carboxylic acid
SMILESO=C(Cn1nccc1C(=O)O)Nc1ccncc1
InChIInChI=1S/C11H10N4O3/c16-10(14-8-1-4-12-5-2-8)7-15-9(11(17)18)3-6-13-15/h1-6H,7H2,(H,17,18)(H,12,14,16)
InChIKeyOHERMDVZFNRGQZ-UHFFFAOYSA-N
XLogP0.62
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-ethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485417
2-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485746
2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]pyrazole-3-carboxylic acid
CID 19482774
2-(carboxymethyl)pyrazole-3-carboxylic acid
CID 19485803
2-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485630
2-[2-(tert-butylamino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 60780045
2-[2-[[1-(ethoxymethyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485687
2-[2-oxo-2-[[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]amino]ethyl]pyrazole-3-carboxylic acid
CID 19485688
1-[2-oxo-2-(pyridin-4-ylamino)ethyl]triazole-4-carboxylic acid
CID 66288893
2-[3-oxo-3-(4-phenylanilino)propyl]pyrazole-3-carboxylic acid
CID 19492142
2-[2-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]anilino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485529
2-[3-(4-ethylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492092

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(pyridin-4-ylamino)ethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[2-oxo-2-(pyridin-4-ylamino)ethyl]pyrazole-3-carboxylic acid (CID 19482824) is 2-[2-oxo-2-(pyridin-4-ylamino)ethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[2-oxo-2-(pyridin-4-ylamino)ethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[2-oxo-2-(pyridin-4-ylamino)ethyl]pyrazole-3-carboxylic acid is O=C(Cn1nccc1C(=O)O)Nc1ccncc1.
What is the InChIKey of 2-[2-oxo-2-(pyridin-4-ylamino)ethyl]pyrazole-3-carboxylic acid?
The InChIKey is OHERMDVZFNRGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c16-10(14-8-1-4-12-5-2-8)7-15-9(11(17)18)3-6-13-15/h1-6H,7H2,(H,17,18)(H,12,14,16).
What are the key properties of 2-[2-oxo-2-(pyridin-4-ylamino)ethyl]pyrazole-3-carboxylic acid?
2-[2-oxo-2-(pyridin-4-ylamino)ethyl]pyrazole-3-carboxylic acid has a molecular weight of 246.23 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(pyridin-4-ylamino)ethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19482824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).