5-cyclopentyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

C13H18N4O — CID 135955611

IUPAC5-cyclopentyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCn1nc(C)c2nc(C3CCCC3)[nH]c(=O)c21
InChIInChI=1S/C13H18N4O/c1-3-17-11-10(8(2)16-17)14-12(15-13(11)18)9-6-4-5-7-9/h9H,3-7H2,1-2H3,(H,14,15,18)
InChIKeyCLRABNUNUUOQRW-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.11
Rot. Bonds2

About 5-cyclopentyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

5-cyclopentyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135955611) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-cyclopentyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-cyclopentyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135955611
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-cyclopentyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCCn1nc(C)c2nc(C3CCCC3)[nH]c(=O)c21
InChIInChI=1S/C13H18N4O/c1-3-17-11-10(8(2)16-17)14-12(15-13(11)18)9-6-4-5-7-9/h9H,3-7H2,1-2H3,(H,14,15,18)
InChIKeyCLRABNUNUUOQRW-UHFFFAOYSA-N
XLogP2.11
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 5-cyclopentyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135955611) is 5-cyclopentyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 5-cyclopentyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 5-cyclopentyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is CCn1nc(C)c2nc(C3CCCC3)[nH]c(=O)c21.
What is the InChIKey of 5-cyclopentyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is CLRABNUNUUOQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-17-11-10(8(2)16-17)14-12(15-13(11)18)9-6-4-5-7-9/h9H,3-7H2,1-2H3,(H,14,15,18).
What are the key properties of 5-cyclopentyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
5-cyclopentyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 246.31 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1-ethyl-3-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135955611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).