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

C10H11N3O3 — CID 67258659

IUPACmethyl 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCOC(=O)Cc1c(C)nc2cc[nH]n2c1=O
InChIInChI=1S/C10H11N3O3/c1-6-7(5-9(14)16-2)10(15)13-8(12-6)3-4-11-13/h3-4,11H,5H2,1-2H3
InChIKeyQCKHBAOQRFSMQG-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.05
Rot. Bonds2

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

methyl 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate (PubChem CID 67258659) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is methyl 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate
PubChem CID67258659
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Namemethyl 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate
SMILESCOC(=O)Cc1c(C)nc2cc[nH]n2c1=O
InChIInChI=1S/C10H11N3O3/c1-6-7(5-9(14)16-2)10(15)13-8(12-6)3-4-11-13/h3-4,11H,5H2,1-2H3
InChIKeyQCKHBAOQRFSMQG-UHFFFAOYSA-N
XLogP0.05
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The IUPAC name of methyl 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate (CID 67258659) is methyl 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate.
What is the SMILES notation for methyl 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The canonical SMILES for methyl 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate is COC(=O)Cc1c(C)nc2cc[nH]n2c1=O.
What is the InChIKey of methyl 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate?
The InChIKey is QCKHBAOQRFSMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-6-7(5-9(14)16-2)10(15)13-8(12-6)3-4-11-13/h3-4,11H,5H2,1-2H3.
What are the key properties of methyl 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate?
methyl 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate has a molecular weight of 221.22 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetate is sourced from PubChem (CID 67258659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).