5-oxo-7-pyridin-3-yl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbaldehyde

C12H11N3O2 — CID 87430374

IUPAC5-oxo-7-pyridin-3-yl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbaldehyde
SMILESO=Cc1c(-c2cccnc2)n2n(c1=O)CCC2
InChIInChI=1S/C12H11N3O2/c16-8-10-11(9-3-1-4-13-7-9)14-5-2-6-15(14)12(10)17/h1,3-4,7-8H,2,5-6H2
InChIKeyBDJYLHGGSIMAPW-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.93
Rot. Bonds2

About 5-oxo-7-pyridin-3-yl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbaldehyde

5-oxo-7-pyridin-3-yl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbaldehyde (PubChem CID 87430374) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-oxo-7-pyridin-3-yl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbaldehyde.

Molecular Properties

Compound Name5-oxo-7-pyridin-3-yl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbaldehyde
PubChem CID87430374
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name5-oxo-7-pyridin-3-yl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbaldehyde
SMILESO=Cc1c(-c2cccnc2)n2n(c1=O)CCC2
InChIInChI=1S/C12H11N3O2/c16-8-10-11(9-3-1-4-13-7-9)14-5-2-6-15(14)12(10)17/h1,3-4,7-8H,2,5-6H2
InChIKeyBDJYLHGGSIMAPW-UHFFFAOYSA-N
XLogP0.93
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizin-1-yl)acetaldehyde
CID 57197679
2-chloro-8-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indolizine-1-carboxamide
CID 15406817
1-ethyl-5-pyridin-3-yltriazole-4-carbaldehyde
CID 82207352
2,6-dipyridin-3-ylpyridine
CID 13349632
2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 2771714
2-pyridin-3-yl-1-benzothiophene-3-carbaldehyde
CID 11601152
7-methyl-2-pyridin-3-yl-1H-indole-3-carbaldehyde
CID 3762825
cyclopenta[c]azepine
CID 638010
1-[2-(azetidin-1-yl)-2-oxoethyl]-5-pyridin-3-yltriazole-4-carboxylic acid
CID 102642392
2-bromo-3-pyridin-3-yl-5,6,7,8-tetrahydroindolizine-1-carbonitrile
CID 21255187
5-pyridin-3-yl-1,2-oxazole-4-carbaldehyde
CID 82411534
3,5-dipyridin-3-yl-1,2,4-triazol-4-amine
CID 2768013

Frequently Asked Questions

What is the IUPAC name of 5-oxo-7-pyridin-3-yl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbaldehyde?
The IUPAC name of 5-oxo-7-pyridin-3-yl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbaldehyde (CID 87430374) is 5-oxo-7-pyridin-3-yl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbaldehyde.
What is the SMILES notation for 5-oxo-7-pyridin-3-yl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbaldehyde?
The canonical SMILES for 5-oxo-7-pyridin-3-yl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbaldehyde is O=Cc1c(-c2cccnc2)n2n(c1=O)CCC2.
What is the InChIKey of 5-oxo-7-pyridin-3-yl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbaldehyde?
The InChIKey is BDJYLHGGSIMAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-8-10-11(9-3-1-4-13-7-9)14-5-2-6-15(14)12(10)17/h1,3-4,7-8H,2,5-6H2.
What are the key properties of 5-oxo-7-pyridin-3-yl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbaldehyde?
5-oxo-7-pyridin-3-yl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbaldehyde has a molecular weight of 229.24 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-7-pyridin-3-yl-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazole-6-carbaldehyde is sourced from PubChem (CID 87430374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).