methyl 2-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate

C9H11N3O3 — CID 135648968

IUPACmethyl 2-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCOC(=O)CC1Cn2nccc2NC1=O
InChIInChI=1S/C9H11N3O3/c1-15-8(13)4-6-5-12-7(2-3-10-12)11-9(6)14/h2-3,6H,4-5H2,1H3,(H,11,14)
InChIKeyWZBLIJKCDXMWDG-UHFFFAOYSA-N
MW209.20 g/mol
LogP0.01
Rot. Bonds2

About methyl 2-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate

methyl 2-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate (PubChem CID 135648968) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is methyl 2-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate
PubChem CID135648968
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Namemethyl 2-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCOC(=O)CC1Cn2nccc2NC1=O
InChIInChI=1S/C9H11N3O3/c1-15-8(13)4-6-5-12-7(2-3-10-12)11-9(6)14/h2-3,6H,4-5H2,1H3,(H,11,14)
InChIKeyWZBLIJKCDXMWDG-UHFFFAOYSA-N
XLogP0.01
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The IUPAC name of methyl 2-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate (CID 135648968) is methyl 2-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate.
What is the SMILES notation for methyl 2-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The canonical SMILES for methyl 2-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate is COC(=O)CC1Cn2nccc2NC1=O.
What is the InChIKey of methyl 2-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The InChIKey is WZBLIJKCDXMWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-15-8(13)4-6-5-12-7(2-3-10-12)11-9(6)14/h2-3,6H,4-5H2,1H3,(H,11,14).
What are the key properties of methyl 2-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate?
methyl 2-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate has a molecular weight of 209.20 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-oxo-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate is sourced from PubChem (CID 135648968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).