1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid

C15H12N4O3 — CID 23090500

IUPAC1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)cc2-c2ccccn2)cn1
InChIInChI=1S/C15H12N4O3/c1-22-14-6-5-10(9-17-14)19-13(8-12(18-19)15(20)21)11-4-2-3-7-16-11/h2-9H,1H3,(H,20,21)
InChIKeyOYMDVJDJOHWGJE-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.04
Rot. Bonds4

About 1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid

1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid (PubChem CID 23090500) has the molecular formula C15H12N4O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid
PubChem CID23090500
Molecular FormulaC15H12N4O3
Molecular Weight296.29 g/mol
Exact Mass296.09
IUPAC Name1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)cc2-c2ccccn2)cn1
InChIInChI=1S/C15H12N4O3/c1-22-14-6-5-10(9-17-14)19-13(8-12(18-19)15(20)21)11-4-2-3-7-16-11/h2-9H,1H3,(H,20,21)
InChIKeyOYMDVJDJOHWGJE-UHFFFAOYSA-N
XLogP2.04
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]pyrazolidine-1-carboxylic acid
CID 141133524
[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 23090523
lithium;hydride;1-(6-methoxy-3-pyridinyl)-5-pyridazin-3-ylpyrazole-3-carboxylic acid
CID 173083048
1-(6-methoxy-3-pyridinyl)-5-(6-methyl-2-pyridinyl)pyrazole-3-carboxylic acid
CID 23090235
1-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carbonyl]-2-methylpyrazolidin-3-one
CID 23090169
5-(3-methoxyphenyl)-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid
CID 23090117
[(3R)-3-fluoropiperidin-1-yl]-[1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazol-3-yl]methanone
CID 59003558
1-(6-methoxy-3-pyridinyl)-5-pyridin-2-yl-1,2,4-triazole-3-carboxylic acid
CID 23110149
5-[3-(dimethylamino)phenyl]-1-(6-methoxy-3-pyridinyl)pyrazole-3-carboxylic acid
CID 58970542
[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 23090210
1-(3-chlorophenyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid
CID 62815168
[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-piperidin-1-ylmethanone
CID 23090606

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid (CID 23090500) is 1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid is COc1ccc(-n2nc(C(=O)O)cc2-c2ccccn2)cn1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid?
The InChIKey is OYMDVJDJOHWGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O3/c1-22-14-6-5-10(9-17-14)19-13(8-12(18-19)15(20)21)11-4-2-3-7-16-11/h2-9H,1H3,(H,20,21).
What are the key properties of 1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid?
1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid has a molecular weight of 296.29 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-5-pyridin-2-ylpyrazole-3-carboxylic acid is sourced from PubChem (CID 23090500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).