4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde

C7H9N3O — CID 135732767

IUPAC4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1cnn2c1NCCC2
InChIInChI=1S/C7H9N3O/c11-5-6-4-9-10-3-1-2-8-7(6)10/h4-5,8H,1-3H2
InChIKeyAGEYKPIBIYCOOE-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.51
Rot. Bonds1

About 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde

4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 135732767) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID135732767
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1cnn2c1NCCC2
InChIInChI=1S/C7H9N3O/c11-5-6-4-9-10-3-1-2-8-7(6)10/h4-5,8H,1-3H2
InChIKeyAGEYKPIBIYCOOE-UHFFFAOYSA-N
XLogP0.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.51
H-Bond Donors ≤ 51
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 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 135732767) is 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde is O=Cc1cnn2c1NCCC2.
What is the InChIKey of 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is AGEYKPIBIYCOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c11-5-6-4-9-10-3-1-2-8-7(6)10/h4-5,8H,1-3H2.
What are the key properties of 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 151.17 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 135732767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).