5-(cyclopentylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde

C15H19N5O — CID 58314303

IUPAC5-(cyclopentylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1cnn2c(NC3CC3)cc(NC3CCCC3)nc12
InChIInChI=1S/C15H19N5O/c21-9-10-8-16-20-14(18-12-5-6-12)7-13(19-15(10)20)17-11-3-1-2-4-11/h7-9,11-12,18H,1-6H2,(H,17,19)
InChIKeyYMLFRUATSMBCCP-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.47
Rot. Bonds5

About 5-(cyclopentylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde

5-(cyclopentylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 58314303) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-(cyclopentylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name5-(cyclopentylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID58314303
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name5-(cyclopentylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESO=Cc1cnn2c(NC3CC3)cc(NC3CCCC3)nc12
InChIInChI=1S/C15H19N5O/c21-9-10-8-16-20-14(18-12-5-6-12)7-13(19-15(10)20)17-11-3-1-2-4-11/h7-9,11-12,18H,1-6H2,(H,17,19)
InChIKeyYMLFRUATSMBCCP-UHFFFAOYSA-N
XLogP2.47
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.47
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 5-(cyclopentylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 5-(cyclopentylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 58314303) is 5-(cyclopentylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 5-(cyclopentylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 5-(cyclopentylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde is O=Cc1cnn2c(NC3CC3)cc(NC3CCCC3)nc12.
What is the InChIKey of 5-(cyclopentylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is YMLFRUATSMBCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c21-9-10-8-16-20-14(18-12-5-6-12)7-13(19-15(10)20)17-11-3-1-2-4-11/h7-9,11-12,18H,1-6H2,(H,17,19).
What are the key properties of 5-(cyclopentylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
5-(cyclopentylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 285.35 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 58314303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).