5-hydroxy-1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-4H-pyrazole-3-carboxylic acid

C15H14N4O4 — CID 23090176

IUPAC5-hydroxy-1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-4H-pyrazole-3-carboxylic acid
SMILESCOc1ccc(N2N=C(C(=O)O)CC2(O)c2ccccn2)cn1
InChIInChI=1S/C15H14N4O4/c1-23-13-6-5-10(9-17-13)19-15(22,8-11(18-19)14(20)21)12-4-2-3-7-16-12/h2-7,9,22H,8H2,1H3,(H,20,21)
InChIKeyNOIKSXYRSYDBGY-UHFFFAOYSA-N
MW314.30 g/mol
LogP0.98
Rot. Bonds4

About 5-hydroxy-1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-4H-pyrazole-3-carboxylic acid

5-hydroxy-1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-4H-pyrazole-3-carboxylic acid (PubChem CID 23090176) has the molecular formula C15H14N4O4 and a molecular weight of 314.30 g/mol. Its IUPAC name is 5-hydroxy-1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-4H-pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-4H-pyrazole-3-carboxylic acid
PubChem CID23090176
Molecular FormulaC15H14N4O4
Molecular Weight314.30 g/mol
Exact Mass314.10
IUPAC Name5-hydroxy-1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-4H-pyrazole-3-carboxylic acid
SMILESCOc1ccc(N2N=C(C(=O)O)CC2(O)c2ccccn2)cn1
InChIInChI=1S/C15H14N4O4/c1-23-13-6-5-10(9-17-13)19-15(22,8-11(18-19)14(20)21)12-4-2-3-7-16-12/h2-7,9,22H,8H2,1H3,(H,20,21)
InChIKeyNOIKSXYRSYDBGY-UHFFFAOYSA-N
XLogP0.98
TPSA108.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-hydroxy-1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-4H-pyrazole-3-carboxylic acid with MolForge

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Related Compounds

1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid
CID 23090500
1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-1,2,4-triazole-3-carboxylic acid
CID 23110149
2-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]pyrazolidine-1-carboxylic acid
CID 141133524
[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 23090210
1-(6-methoxy-3-pyridinyl)piperidin-4-one
CID 22000279
[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 23090523
1-benzyl-4-(6-methoxy-3-pyridinyl)piperazine
CID 138460517
tert-butyl 4-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]-5-oxo-1,4-diazepane-1-carboxylate
CID 11305807
2-methoxy-5-pyrrol-1-ylpyridine
CID 4763719
2-methoxypyridine
CID 71774587
1-(6-methoxy-3-pyridinyl)imidazolidine-2,4-dione
CID 139347892
[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-piperidin-1-ylmethanone
CID 23090606

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-4H-pyrazole-3-carboxylic acid?
The IUPAC name of 5-hydroxy-1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-4H-pyrazole-3-carboxylic acid (CID 23090176) is 5-hydroxy-1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-4H-pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-4H-pyrazole-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-4H-pyrazole-3-carboxylic acid is COc1ccc(N2N=C(C(=O)O)CC2(O)c2ccccn2)cn1.
What is the InChIKey of 5-hydroxy-1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-4H-pyrazole-3-carboxylic acid?
The InChIKey is NOIKSXYRSYDBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O4/c1-23-13-6-5-10(9-17-13)19-15(22,8-11(18-19)14(20)21)12-4-2-3-7-16-12/h2-7,9,22H,8H2,1H3,(H,20,21).
What are the key properties of 5-hydroxy-1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-4H-pyrazole-3-carboxylic acid?
5-hydroxy-1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-4H-pyrazole-3-carboxylic acid has a molecular weight of 314.30 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-4H-pyrazole-3-carboxylic acid is sourced from PubChem (CID 23090176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).