ethyl 2-(7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl)acetate

C9H10N4O3 — CID 136597750

IUPACethyl 2-(7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1ncc2nc[nH]c(=O)c21
InChIInChI=1S/C9H10N4O3/c1-2-16-7(14)4-13-8-6(3-12-13)10-5-11-9(8)15/h3,5H,2,4H2,1H3,(H,10,11,15)
InChIKeyKWEQHONPHFZBPA-UHFFFAOYSA-N
MW222.20 g/mol
LogP-0.32
Rot. Bonds3

About ethyl 2-(7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl)acetate

ethyl 2-(7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl)acetate (PubChem CID 136597750) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is ethyl 2-(7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl)acetate
PubChem CID136597750
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Nameethyl 2-(7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1ncc2nc[nH]c(=O)c21
InChIInChI=1S/C9H10N4O3/c1-2-16-7(14)4-13-8-6(3-12-13)10-5-11-9(8)15/h3,5H,2,4H2,1H3,(H,10,11,15)
InChIKeyKWEQHONPHFZBPA-UHFFFAOYSA-N
XLogP-0.32
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-(6-chloropyrazolo[3,4-b]pyrazin-1-yl)acetate
CID 167253717
ethyl 2-(4-methyl-6-oxopyridazin-1-yl)acetate
CID 77231410
methyl 4-[2-(7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl)ethoxy]benzoate
CID 151234702
ethyl 2-(4,6-dimethyl-5,7-dioxopyrazolo[4,5-d]pyrimidin-1-yl)acetate
CID 70943290
ethane;1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 142422164
ethyl 2-(4-chloro-5-methylpyrazol-1-yl)acetate
CID 59813966
ethyl 2-(4-methyl-6-oxo-1H-pyrimidin-5-yl)acetate
CID 135416561
ethyl 2-(5-amino-1,2,4-triazol-1-yl)acetate
CID 63277510
ethyl 2-[5-(chloromethyl)-1,2,4-triazol-1-yl]acetate
CID 107447307
ethyl 2-[6-(3,4-difluorophenyl)pyrazolo[4,5-b]pyridin-1-yl]acetate
CID 155389923
1-(4-methoxyphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 152747075
ethyl 4-oxo-3H-quinazoline-6-carboxylate
CID 135742218

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl)acetate?
The IUPAC name of ethyl 2-(7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl)acetate (CID 136597750) is ethyl 2-(7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl)acetate is CCOC(=O)Cn1ncc2nc[nH]c(=O)c21.
What is the InChIKey of ethyl 2-(7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl)acetate?
The InChIKey is KWEQHONPHFZBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-2-16-7(14)4-13-8-6(3-12-13)10-5-11-9(8)15/h3,5H,2,4H2,1H3,(H,10,11,15).
What are the key properties of ethyl 2-(7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl)acetate?
ethyl 2-(7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl)acetate has a molecular weight of 222.20 g/mol, XLogP of -0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(7-oxo-6H-pyrazolo[4,5-d]pyrimidin-1-yl)acetate is sourced from PubChem (CID 136597750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).