5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde

C12H14N4O — CID 134386283

IUPAC5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1cnn2ccc(N3CCCCC3)nc12
InChIInChI=1S/C12H14N4O/c17-9-10-8-13-16-7-4-11(14-12(10)16)15-5-2-1-3-6-15/h4,7-9H,1-3,5-6H2
InChIKeyMTEJMAPFQNZZPX-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.53
Rot. Bonds2

About 5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde

5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 134386283) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID134386283
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1cnn2ccc(N3CCCCC3)nc12
InChIInChI=1S/C12H14N4O/c17-9-10-8-13-16-7-4-11(14-12(10)16)15-5-2-1-3-6-15/h4,7-9H,1-3,5-6H2
InChIKeyMTEJMAPFQNZZPX-UHFFFAOYSA-N
XLogP1.53
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 134386283) is 5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is O=Cc1cnn2ccc(N3CCCCC3)nc12.
What is the InChIKey of 5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is MTEJMAPFQNZZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c17-9-10-8-13-16-7-4-11(14-12(10)16)15-5-2-1-3-6-15/h4,7-9H,1-3,5-6H2.
What are the key properties of 5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 230.27 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 134386283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).