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

C11H12N4OS — CID 58313837

IUPAC7-(cyclopropylamino)-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCSc1cc(NC2CC2)n2ncc(C=O)c2n1
InChIInChI=1S/C11H12N4OS/c1-17-10-4-9(13-8-2-3-8)15-11(14-10)7(6-16)5-12-15/h4-6,8,13H,2-3H2,1H3
InChIKeyRIOVOQSRZDZYED-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.84
Rot. Bonds4

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

7-(cyclopropylamino)-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (PubChem CID 58313837) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 7-(cyclopropylamino)-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.

Molecular Properties

Compound Name7-(cyclopropylamino)-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
PubChem CID58313837
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name7-(cyclopropylamino)-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde
SMILESCSc1cc(NC2CC2)n2ncc(C=O)c2n1
InChIInChI=1S/C11H12N4OS/c1-17-10-4-9(13-8-2-3-8)15-11(14-10)7(6-16)5-12-15/h4-6,8,13H,2-3H2,1H3
InChIKeyRIOVOQSRZDZYED-UHFFFAOYSA-N
XLogP1.84
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.84
H-Bond Donors ≤ 51
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-(cyclopropylamino)-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The IUPAC name of 7-(cyclopropylamino)-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde (CID 58313837) is 7-(cyclopropylamino)-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde.
What is the SMILES notation for 7-(cyclopropylamino)-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The canonical SMILES for 7-(cyclopropylamino)-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is CSc1cc(NC2CC2)n2ncc(C=O)c2n1.
What is the InChIKey of 7-(cyclopropylamino)-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
The InChIKey is RIOVOQSRZDZYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-17-10-4-9(13-8-2-3-8)15-11(14-10)7(6-16)5-12-15/h4-6,8,13H,2-3H2,1H3.
What are the key properties of 7-(cyclopropylamino)-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde?
7-(cyclopropylamino)-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde has a molecular weight of 248.31 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylamino)-5-methylsulfanylpyrazolo[1,5-a]pyrimidine-3-carbaldehyde is sourced from PubChem (CID 58313837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).