2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)acetaldehyde

C10H11N3O — CID 83877095

IUPAC2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)acetaldehyde
SMILESCc1cn2nc(CC=O)cc2nc1C
InChIInChI=1S/C10H11N3O/c1-7-6-13-10(11-8(7)2)5-9(12-13)3-4-14/h4-6H,3H2,1-2H3
InChIKeyIRJGEDNXPGDUPD-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.09
Rot. Bonds2

About 2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)acetaldehyde

2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)acetaldehyde (PubChem CID 83877095) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)acetaldehyde
PubChem CID83877095
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)acetaldehyde
SMILESCc1cn2nc(CC=O)cc2nc1C
InChIInChI=1S/C10H11N3O/c1-7-6-13-10(11-8(7)2)5-9(12-13)3-4-14/h4-6H,3H2,1-2H3
InChIKeyIRJGEDNXPGDUPD-UHFFFAOYSA-N
XLogP1.09
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)acetaldehyde?
The IUPAC name of 2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)acetaldehyde (CID 83877095) is 2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)acetaldehyde.
What is the SMILES notation for 2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)acetaldehyde?
The canonical SMILES for 2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)acetaldehyde is Cc1cn2nc(CC=O)cc2nc1C.
What is the InChIKey of 2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)acetaldehyde?
The InChIKey is IRJGEDNXPGDUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7-6-13-10(11-8(7)2)5-9(12-13)3-4-14/h4-6H,3H2,1-2H3.
What are the key properties of 2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)acetaldehyde?
2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)acetaldehyde has a molecular weight of 189.22 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)acetaldehyde is sourced from PubChem (CID 83877095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).