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

C12H15N5O — CID 118131964

IUPAC7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESNc1cc(C2CCCNC2)nc2c(C=O)cnn12
InChIInChI=1S/C12H15N5O/c13-11-4-10(8-2-1-3-14-5-8)16-12-9(7-18)6-15-17(11)12/h4,6-8,14H,1-3,5,13H2
InChIKeyTVVYDOQCVSSYTG-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.59
Rot. Bonds2

About 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde

7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 118131964) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID118131964
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESNc1cc(C2CCCNC2)nc2c(C=O)cnn12
InChIInChI=1S/C12H15N5O/c13-11-4-10(8-2-1-3-14-5-8)16-12-9(7-18)6-15-17(11)12/h4,6-8,14H,1-3,5,13H2
InChIKeyTVVYDOQCVSSYTG-UHFFFAOYSA-N
XLogP0.59
TPSA85.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 118131964) is 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is Nc1cc(C2CCCNC2)nc2c(C=O)cnn12.
What is the InChIKey of 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is TVVYDOQCVSSYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c13-11-4-10(8-2-1-3-14-5-8)16-12-9(7-18)6-15-17(11)12/h4,6-8,14H,1-3,5,13H2.
What are the key properties of 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 245.29 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 118131964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).