methyl 2-(1-methyl-5-pyrimidin-5-ylpyrazol-3-yl)oxyacetate

C11H12N4O3 — CID 163289689

IUPACmethyl 2-(1-methyl-5-pyrimidin-5-ylpyrazol-3-yl)oxyacetate
SMILESCOC(=O)COc1cc(-c2cncnc2)n(C)n1
InChIInChI=1S/C11H12N4O3/c1-15-9(8-4-12-7-13-5-8)3-10(14-15)18-6-11(16)17-2/h3-5,7H,6H2,1-2H3
InChIKeyXFIAVYGCROGBGL-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.43
Rot. Bonds4

About methyl 2-(1-methyl-5-pyrimidin-5-ylpyrazol-3-yl)oxyacetate

methyl 2-(1-methyl-5-pyrimidin-5-ylpyrazol-3-yl)oxyacetate (PubChem CID 163289689) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is methyl 2-(1-methyl-5-pyrimidin-5-ylpyrazol-3-yl)oxyacetate.

Molecular Properties

Compound Namemethyl 2-(1-methyl-5-pyrimidin-5-ylpyrazol-3-yl)oxyacetate
PubChem CID163289689
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Namemethyl 2-(1-methyl-5-pyrimidin-5-ylpyrazol-3-yl)oxyacetate
SMILESCOC(=O)COc1cc(-c2cncnc2)n(C)n1
InChIInChI=1S/C11H12N4O3/c1-15-9(8-4-12-7-13-5-8)3-10(14-15)18-6-11(16)17-2/h3-5,7H,6H2,1-2H3
InChIKeyXFIAVYGCROGBGL-UHFFFAOYSA-N
XLogP0.43
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-Fluorophenoxy)-6-(1-methylpyrazol-4-yl)pyrimidine
CID 141278993
methyl (2R)-2-[4-bromo-1-(2-fluorophenyl)-5-pyrimidin-5-ylpyrazol-3-yl]oxypropanoate
CID 155368175
Methyl 2-[4-bromo-1-(2-fluorophenyl)-5-pyrimidin-5-ylpyrazol-3-yl]oxypropanoate
CID 155368176
2-[4-Bromo-1-(2-fluorophenyl)-5-pyrimidin-5-ylpyrazol-3-yl]oxyacetic acid
CID 155368201
Methyl 2-[4-bromo-1-(2-fluorophenyl)-5-pyrimidin-5-ylpyrazol-3-yl]oxyacetate
CID 155733621
Ethyl 2-[5-(3-fluorophenyl)-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]oxyacetate
CID 163289731
Methyl 2-[5-(5-fluoro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
CID 167062782
Methyl 2-[5-(6-fluoro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
CID 167062784
Methyl 2-[5-(3-fluoro-4-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
CID 167062788
Ethyl 2-[5-(5-fluoro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
CID 167062900
Ethyl 2-[5-(6-fluoro-3-pyridinyl)-1-pyrazin-2-ylpyrazol-3-yl]oxyacetate
CID 168155840
5-Fluoro-4-methoxy-6-(1-methylpyrazol-4-yl)pyrimidine
CID 169574662

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methyl-5-pyrimidin-5-ylpyrazol-3-yl)oxyacetate?
The IUPAC name of methyl 2-(1-methyl-5-pyrimidin-5-ylpyrazol-3-yl)oxyacetate (CID 163289689) is methyl 2-(1-methyl-5-pyrimidin-5-ylpyrazol-3-yl)oxyacetate.
What is the SMILES notation for methyl 2-(1-methyl-5-pyrimidin-5-ylpyrazol-3-yl)oxyacetate?
The canonical SMILES for methyl 2-(1-methyl-5-pyrimidin-5-ylpyrazol-3-yl)oxyacetate is COC(=O)COc1cc(-c2cncnc2)n(C)n1.
What is the InChIKey of methyl 2-(1-methyl-5-pyrimidin-5-ylpyrazol-3-yl)oxyacetate?
The InChIKey is XFIAVYGCROGBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-15-9(8-4-12-7-13-5-8)3-10(14-15)18-6-11(16)17-2/h3-5,7H,6H2,1-2H3.
What are the key properties of methyl 2-(1-methyl-5-pyrimidin-5-ylpyrazol-3-yl)oxyacetate?
methyl 2-(1-methyl-5-pyrimidin-5-ylpyrazol-3-yl)oxyacetate has a molecular weight of 248.24 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methyl-5-pyrimidin-5-ylpyrazol-3-yl)oxyacetate is sourced from PubChem (CID 163289689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).