3-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclopentan-1-one

C11H12N4O — CID 66733391

IUPAC3-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclopentan-1-one
SMILESNc1cc(C2CCC(=O)C2)nc2ccnn12
InChIInChI=1S/C11H12N4O/c12-10-6-9(7-1-2-8(16)5-7)14-11-3-4-13-15(10)11/h3-4,6-7H,1-2,5,12H2
InChIKeyQDBUNVCFRXUSFC-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.15
Rot. Bonds1

About 3-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclopentan-1-one

3-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclopentan-1-one (PubChem CID 66733391) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 3-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclopentan-1-one
PubChem CID66733391
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name3-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclopentan-1-one
SMILESNc1cc(C2CCC(=O)C2)nc2ccnn12
InChIInChI=1S/C11H12N4O/c12-10-6-9(7-1-2-8(16)5-7)14-11-3-4-13-15(10)11/h3-4,6-7H,1-2,5,12H2
InChIKeyQDBUNVCFRXUSFC-UHFFFAOYSA-N
XLogP1.15
TPSA73.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclopentan-1-one?
The IUPAC name of 3-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclopentan-1-one (CID 66733391) is 3-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclopentan-1-one.
What is the SMILES notation for 3-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclopentan-1-one?
The canonical SMILES for 3-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclopentan-1-one is Nc1cc(C2CCC(=O)C2)nc2ccnn12.
What is the InChIKey of 3-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclopentan-1-one?
The InChIKey is QDBUNVCFRXUSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c12-10-6-9(7-1-2-8(16)5-7)14-11-3-4-13-15(10)11/h3-4,6-7H,1-2,5,12H2.
What are the key properties of 3-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclopentan-1-one?
3-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclopentan-1-one has a molecular weight of 216.24 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)cyclopentan-1-one is sourced from PubChem (CID 66733391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).