2-cyclooctyl-7-hydroxy-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C16H23N3O2 — CID 137276644

IUPAC2-cyclooctyl-7-hydroxy-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1c(O)n2nc(C3CCCCCCC3)c(C)c2[nH]c1=O
InChIInChI=1S/C16H23N3O2/c1-10-13(12-8-6-4-3-5-7-9-12)18-19-14(10)17-15(20)11(2)16(19)21/h12,21H,3-9H2,1-2H3,(H,17,20)
InChIKeyJYHXLZCKZCYQOG-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.17
Rot. Bonds1

About 2-cyclooctyl-7-hydroxy-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

2-cyclooctyl-7-hydroxy-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 137276644) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-cyclooctyl-7-hydroxy-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-cyclooctyl-7-hydroxy-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID137276644
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-cyclooctyl-7-hydroxy-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1c(O)n2nc(C3CCCCCCC3)c(C)c2[nH]c1=O
InChIInChI=1S/C16H23N3O2/c1-10-13(12-8-6-4-3-5-7-9-12)18-19-14(10)17-15(20)11(2)16(19)21/h12,21H,3-9H2,1-2H3,(H,17,20)
InChIKeyJYHXLZCKZCYQOG-UHFFFAOYSA-N
XLogP3.17
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclooctyl-7-hydroxy-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-cyclooctyl-7-hydroxy-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 137276644) is 2-cyclooctyl-7-hydroxy-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-cyclooctyl-7-hydroxy-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-cyclooctyl-7-hydroxy-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1c(O)n2nc(C3CCCCCCC3)c(C)c2[nH]c1=O.
What is the InChIKey of 2-cyclooctyl-7-hydroxy-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is JYHXLZCKZCYQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10-13(12-8-6-4-3-5-7-9-12)18-19-14(10)17-15(20)11(2)16(19)21/h12,21H,3-9H2,1-2H3,(H,17,20).
What are the key properties of 2-cyclooctyl-7-hydroxy-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
2-cyclooctyl-7-hydroxy-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 289.38 g/mol, XLogP of 3.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooctyl-7-hydroxy-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 137276644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).