5-(2-fluoroethylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde

C9H9FN4O — CID 58196754

IUPAC5-(2-fluoroethylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1cnn2ccc(NCCF)nc12
InChIInChI=1S/C9H9FN4O/c10-2-3-11-8-1-4-14-9(13-8)7(6-15)5-12-14/h1,4-6H,2-3H2,(H,11,13)
InChIKeyVTZXPIFIUUJGHE-UHFFFAOYSA-N
MW208.20 g/mol
LogP0.92
Rot. Bonds4

About 5-(2-fluoroethylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde

5-(2-fluoroethylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 58196754) has the molecular formula C9H9FN4O and a molecular weight of 208.20 g/mol. Its IUPAC name is 5-(2-fluoroethylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name5-(2-fluoroethylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID58196754
Molecular FormulaC9H9FN4O
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC Name5-(2-fluoroethylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1cnn2ccc(NCCF)nc12
InChIInChI=1S/C9H9FN4O/c10-2-3-11-8-1-4-14-9(13-8)7(6-15)5-12-14/h1,4-6H,2-3H2,(H,11,13)
InChIKeyVTZXPIFIUUJGHE-UHFFFAOYSA-N
XLogP0.92
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 50.92
H-Bond Donors ≤ 51
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-(2-fluoroethylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 5-(2-fluoroethylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 58196754) is 5-(2-fluoroethylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 5-(2-fluoroethylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 5-(2-fluoroethylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde is O=Cc1cnn2ccc(NCCF)nc12.
What is the InChIKey of 5-(2-fluoroethylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is VTZXPIFIUUJGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O/c10-2-3-11-8-1-4-14-9(13-8)7(6-15)5-12-14/h1,4-6H,2-3H2,(H,11,13).
What are the key properties of 5-(2-fluoroethylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
5-(2-fluoroethylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 208.20 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 58196754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).