2-pyrazolo[1,5-a]pyrimidin-3-ylacetaldehyde

C8H7N3O — CID 83872984

IUPAC2-pyrazolo[1,5-a]pyrimidin-3-ylacetaldehyde
SMILESO=CCc1cnn2cccnc12
InChIInChI=1S/C8H7N3O/c12-5-2-7-6-10-11-4-1-3-9-8(7)11/h1,3-6H,2H2
InChIKeyAUUOQIQHMNJECS-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.47
Rot. Bonds2

About 2-pyrazolo[1,5-a]pyrimidin-3-ylacetaldehyde

2-pyrazolo[1,5-a]pyrimidin-3-ylacetaldehyde (PubChem CID 83872984) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-pyrazolo[1,5-a]pyrimidin-3-ylacetaldehyde.

Molecular Properties

Compound Name2-pyrazolo[1,5-a]pyrimidin-3-ylacetaldehyde
PubChem CID83872984
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name2-pyrazolo[1,5-a]pyrimidin-3-ylacetaldehyde
SMILESO=CCc1cnn2cccnc12
InChIInChI=1S/C8H7N3O/c12-5-2-7-6-10-11-4-1-3-9-8(7)11/h1,3-6H,2H2
InChIKeyAUUOQIQHMNJECS-UHFFFAOYSA-N
XLogP0.47
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-pyrazolo[1,5-a]pyrimidin-3-ylmethanamine
CID 83873099
2-(4-methylpyrazolo[1,5-a]pyridin-3-yl)acetaldehyde
CID 83874225
4,4,4-trifluoro-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)butanamide
CID 86286976
ethane;1-pyrazolo[1,5-a]pyrimidin-3-ylethanone
CID 91104664
pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 819275
formic acid;5-methyl-3-[[4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-4-yl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 171321762
(5S)-5-methyl-5-(4-methylpent-3-enyl)-1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-one
CID 97151555
2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1H-quinoline-4-carboxamide
CID 72860863
N-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 150445744
6-cyano-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyridine-3-carboxamide
CID 90651357
2-oxo-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carboxamide
CID 77094277
2-cyclopentyl-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)pyrazol-3-amine
CID 45177561

Frequently Asked Questions

What is the IUPAC name of 2-pyrazolo[1,5-a]pyrimidin-3-ylacetaldehyde?
The IUPAC name of 2-pyrazolo[1,5-a]pyrimidin-3-ylacetaldehyde (CID 83872984) is 2-pyrazolo[1,5-a]pyrimidin-3-ylacetaldehyde.
What is the SMILES notation for 2-pyrazolo[1,5-a]pyrimidin-3-ylacetaldehyde?
The canonical SMILES for 2-pyrazolo[1,5-a]pyrimidin-3-ylacetaldehyde is O=CCc1cnn2cccnc12.
What is the InChIKey of 2-pyrazolo[1,5-a]pyrimidin-3-ylacetaldehyde?
The InChIKey is AUUOQIQHMNJECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c12-5-2-7-6-10-11-4-1-3-9-8(7)11/h1,3-6H,2H2.
What are the key properties of 2-pyrazolo[1,5-a]pyrimidin-3-ylacetaldehyde?
2-pyrazolo[1,5-a]pyrimidin-3-ylacetaldehyde has a molecular weight of 161.16 g/mol, XLogP of 0.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazolo[1,5-a]pyrimidin-3-ylacetaldehyde is sourced from PubChem (CID 83872984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).