5-cyclopentyl-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one

C12H16N4O2 — CID 7599760

IUPAC5-cyclopentyl-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(CCO)c2ncn1C1CCCC1
InChIInChI=1S/C12H16N4O2/c17-6-5-16-11-10(7-14-16)12(18)15(8-13-11)9-3-1-2-4-9/h7-9,17H,1-6H2
InChIKeyCKMZBVKYZJMUGD-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.70
Rot. Bonds3

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

5-cyclopentyl-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 7599760) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 5-cyclopentyl-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-cyclopentyl-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID7599760
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name5-cyclopentyl-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(CCO)c2ncn1C1CCCC1
InChIInChI=1S/C12H16N4O2/c17-6-5-16-11-10(7-14-16)12(18)15(8-13-11)9-3-1-2-4-9/h7-9,17H,1-6H2
InChIKeyCKMZBVKYZJMUGD-UHFFFAOYSA-N
XLogP0.70
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-hydroxyethyl)-5-(2-piperidin-1-ium-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7599726
5-cyclohexyl-1-(3-hydroxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 145469507
5-[(4-chlorophenyl)methyl]-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7422939
5-[(1S,2S)-2-hydroxycyclopentyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 102735158
N-(2-fluorophenyl)-2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 7422916
N-[(2-chlorophenyl)methyl]-2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 7422934
2-[4-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethanol
CID 86774237
3-cyclopentyl-5,6-dimethylpyrimidin-4-one
CID 126857571
N-[2-[5-[(4-chlorophenyl)methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclohexanecarboxamide
CID 41232209
3-cyclobutylquinazolin-4-one
CID 171781936
methyl 3-[1-(3-methoxy-3-oxopropyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]propanoate
CID 102282878
1-(2-aminoethyl)-5-propylpyrazolo[5,4-d]pyrimidin-4-one
CID 97036259

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-cyclopentyl-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 7599760) is 5-cyclopentyl-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-cyclopentyl-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-cyclopentyl-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(CCO)c2ncn1C1CCCC1.
What is the InChIKey of 5-cyclopentyl-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is CKMZBVKYZJMUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c17-6-5-16-11-10(7-14-16)12(18)15(8-13-11)9-3-1-2-4-9/h7-9,17H,1-6H2.
What are the key properties of 5-cyclopentyl-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one?
5-cyclopentyl-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 248.29 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-1-(2-hydroxyethyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 7599760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).