2-oxo-1-(1H-pyrazol-4-yl)pyridine-3-carbaldehyde

C9H7N3O2 — CID 96625453

IUPAC2-oxo-1-(1H-pyrazol-4-yl)pyridine-3-carbaldehyde
SMILESO=Cc1cccn(-c2cn[nH]c2)c1=O
InChIInChI=1S/C9H7N3O2/c13-6-7-2-1-3-12(9(7)14)8-4-10-11-5-8/h1-6H,(H,10,11)
InChIKeyXBHZEJMXKASYNJ-UHFFFAOYSA-N
MW189.17 g/mol
LogP0.37
Rot. Bonds2

About 2-oxo-1-(1H-pyrazol-4-yl)pyridine-3-carbaldehyde

2-oxo-1-(1H-pyrazol-4-yl)pyridine-3-carbaldehyde (PubChem CID 96625453) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-oxo-1-(1H-pyrazol-4-yl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-oxo-1-(1H-pyrazol-4-yl)pyridine-3-carbaldehyde
PubChem CID96625453
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name2-oxo-1-(1H-pyrazol-4-yl)pyridine-3-carbaldehyde
SMILESO=Cc1cccn(-c2cn[nH]c2)c1=O
InChIInChI=1S/C9H7N3O2/c13-6-7-2-1-3-12(9(7)14)8-4-10-11-5-8/h1-6H,(H,10,11)
InChIKeyXBHZEJMXKASYNJ-UHFFFAOYSA-N
XLogP0.37
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-2-oxopyridine-3-carbaldehyde;methanamine
CID 143678321
1-(2,3-dimethylphenyl)-2-oxopyridine-3-carbaldehyde
CID 96602655
2-(3-formyl-2-oxo-1-pyridinyl)acetamide
CID 82409228
9-(1H-pyrazol-4-yl)carbazole
CID 172540538
imidazo[1,5-a]pyridine-8-carbaldehyde
CID 10464459
2-chloro-5-(1H-pyrazol-4-yl)benzaldehyde
CID 153387709
1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbaldehyde
CID 96600000
6-amino-3-(1H-pyrazol-4-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 82402977
4-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]-1H-pyrazole
CID 95566830
2-oxo-1-(oxolan-3-ylmethyl)pyridine-3-carbaldehyde
CID 121208404
3-[3-(1H-pyrazol-4-yl)imidazol-4-yl]pyridin-2-amine
CID 114717949
1-(1H-pyrazol-4-yl)indol-3-amine;2,2,2-trifluoroacetic acid
CID 175939513

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(1H-pyrazol-4-yl)pyridine-3-carbaldehyde?
The IUPAC name of 2-oxo-1-(1H-pyrazol-4-yl)pyridine-3-carbaldehyde (CID 96625453) is 2-oxo-1-(1H-pyrazol-4-yl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-oxo-1-(1H-pyrazol-4-yl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-oxo-1-(1H-pyrazol-4-yl)pyridine-3-carbaldehyde is O=Cc1cccn(-c2cn[nH]c2)c1=O.
What is the InChIKey of 2-oxo-1-(1H-pyrazol-4-yl)pyridine-3-carbaldehyde?
The InChIKey is XBHZEJMXKASYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O2/c13-6-7-2-1-3-12(9(7)14)8-4-10-11-5-8/h1-6H,(H,10,11).
What are the key properties of 2-oxo-1-(1H-pyrazol-4-yl)pyridine-3-carbaldehyde?
2-oxo-1-(1H-pyrazol-4-yl)pyridine-3-carbaldehyde has a molecular weight of 189.17 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(1H-pyrazol-4-yl)pyridine-3-carbaldehyde is sourced from PubChem (CID 96625453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).