3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid

C9H7N3O3 — CID 86705136

IUPAC3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(=O)n(-c2ccccn2)[nH]1
InChIInChI=1S/C9H7N3O3/c13-8-5-6(9(14)15)11-12(8)7-3-1-2-4-10-7/h1-5,11H,(H,14,15)
InChIKeyQOHILQINKDDBBY-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.26
Rot. Bonds2

About 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid

3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid (PubChem CID 86705136) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid
PubChem CID86705136
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(=O)n(-c2ccccn2)[nH]1
InChIInChI=1S/C9H7N3O3/c13-8-5-6(9(14)15)11-12(8)7-3-1-2-4-10-7/h1-5,11H,(H,14,15)
InChIKeyQOHILQINKDDBBY-UHFFFAOYSA-N
XLogP0.26
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylate
CID 102143711
5-(3-bromophenyl)-2-pyridin-2-yl-1H-pyrazol-3-one
CID 51038398
5-pentyl-2-pyridin-2-yl-1H-pyrazol-3-one
CID 18780322
5-[4-(4-methoxyphenyl)phenyl]-2-pyridin-2-yl-1H-pyrazol-3-one
CID 51036276
3-oxo-2-pyridin-2-yl-1,4,5,7-tetrahydropyrazolo[3,4-c]pyridine-6-carboxylic acid
CID 175289153
2-pyridin-2-yl-5-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrazol-3-one
CID 51037421
2-(3-chloro-2-methylphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 83548388
2-[5-(2-fluorophenyl)-3-oxo-1H-pyrazol-2-yl]pyridine-4-carboxylic acid
CID 76901430
2-(4-methoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 45490071
3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]-3-(4-pyridin-2-ylphenyl)propanoic acid
CID 90093286
2-pyridin-2-yl-5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-one
CID 178069330
2-(3,4-dimethoxyphenyl)-3-oxo-1H-pyrazole-5-carboxylic acid
CID 99988258

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid (CID 86705136) is 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(=O)n(-c2ccccn2)[nH]1.
What is the InChIKey of 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid?
The InChIKey is QOHILQINKDDBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c13-8-5-6(9(14)15)11-12(8)7-3-1-2-4-10-7/h1-5,11H,(H,14,15).
What are the key properties of 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid?
3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid has a molecular weight of 205.17 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 86705136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).