1-cyclopentyl-6-(2-methylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

C15H22N4O — CID 135400935

IUPAC1-cyclopentyl-6-(2-methylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCC(C)Cc1nc2c(cnn2C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C15H22N4O/c1-3-10(2)8-13-17-14-12(15(20)18-13)9-16-19(14)11-6-4-5-7-11/h9-11H,3-8H2,1-2H3,(H,17,18,20)
InChIKeyCMRWPJDNENEYTL-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.82
Rot. Bonds4

About 1-cyclopentyl-6-(2-methylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-cyclopentyl-6-(2-methylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135400935) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-cyclopentyl-6-(2-methylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-cyclopentyl-6-(2-methylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135400935
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-cyclopentyl-6-(2-methylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCC(C)Cc1nc2c(cnn2C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C15H22N4O/c1-3-10(2)8-13-17-14-12(15(20)18-13)9-16-19(14)11-6-4-5-7-11/h9-11H,3-8H2,1-2H3,(H,17,18,20)
InChIKeyCMRWPJDNENEYTL-UHFFFAOYSA-N
XLogP2.82
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-6-(2-methylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-cyclopentyl-6-(2-methylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135400935) is 1-cyclopentyl-6-(2-methylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-cyclopentyl-6-(2-methylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-cyclopentyl-6-(2-methylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCC(C)Cc1nc2c(cnn2C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 1-cyclopentyl-6-(2-methylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is CMRWPJDNENEYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-3-10(2)8-13-17-14-12(15(20)18-13)9-16-19(14)11-6-4-5-7-11/h9-11H,3-8H2,1-2H3,(H,17,18,20).
What are the key properties of 1-cyclopentyl-6-(2-methylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-cyclopentyl-6-(2-methylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 274.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-6-(2-methylbutyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135400935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).