1-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)ethyl pentanoate

C12H16N4O3 — CID 136734711

IUPAC1-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)ethyl pentanoate
SMILESCCCCC(=O)OC(C)n1ncc2c(=O)[nH]cnc21
InChIInChI=1S/C12H16N4O3/c1-3-4-5-10(17)19-8(2)16-11-9(6-15-16)12(18)14-7-13-11/h6-8H,3-5H2,1-2H3,(H,13,14,18)
InChIKeyOLNSTZJJNQWBEJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.37
Rot. Bonds5

About 1-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)ethyl pentanoate

1-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)ethyl pentanoate (PubChem CID 136734711) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)ethyl pentanoate.

Molecular Properties

Compound Name1-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)ethyl pentanoate
PubChem CID136734711
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name1-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)ethyl pentanoate
SMILESCCCCC(=O)OC(C)n1ncc2c(=O)[nH]cnc21
InChIInChI=1S/C12H16N4O3/c1-3-4-5-10(17)19-8(2)16-11-9(6-15-16)12(18)14-7-13-11/h6-8H,3-5H2,1-2H3,(H,13,14,18)
InChIKeyOLNSTZJJNQWBEJ-UHFFFAOYSA-N
XLogP1.37
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-tert-butyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135876286
1-(4-nitroimidazol-1-yl)ethyl pentanoate
CID 86232157
3-hydroxybutan-2-yl pentanoate
CID 19808005
3-pentan-2-yl-6H-triazolo[4,5-d]pyrimidin-7-one
CID 170237895
ethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136974867
[(2S)-3-methylbutan-2-yl] octanoate
CID 118411407
3-methylbutan-2-yl icosanoate
CID 58052123
1-decanoyloxybutyl decanoate
CID 141030652
1H-imidazol-2-yl pentanoate
CID 57278917
[(6-oxo-1,7-dihydropurin-2-yl)amino]methyl pentanoate
CID 141073885
[1-oxo-1-(propylamino)propan-2-yl] 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate
CID 46545170
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135407110

Frequently Asked Questions

What is the IUPAC name of 1-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)ethyl pentanoate?
The IUPAC name of 1-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)ethyl pentanoate (CID 136734711) is 1-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)ethyl pentanoate.
What is the SMILES notation for 1-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)ethyl pentanoate?
The canonical SMILES for 1-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)ethyl pentanoate is CCCCC(=O)OC(C)n1ncc2c(=O)[nH]cnc21.
What is the InChIKey of 1-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)ethyl pentanoate?
The InChIKey is OLNSTZJJNQWBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-3-4-5-10(17)19-8(2)16-11-9(6-15-16)12(18)14-7-13-11/h6-8H,3-5H2,1-2H3,(H,13,14,18).
What are the key properties of 1-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)ethyl pentanoate?
1-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)ethyl pentanoate has a molecular weight of 264.28 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxo-5H-pyrazolo[5,4-d]pyrimidin-1-yl)ethyl pentanoate is sourced from PubChem (CID 136734711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).