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

methyl 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 167058142
ethane;methyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 163289733
methyl 2-[5-(2-ethylphenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 163289746
ethyl 2-[5-(5-chloro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
CID 174197181
methyl 2-[5-(3-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
CID 174197193
ethyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 167058272
ethyl 2-(1-methyl-5-pyrimidin-2-ylpyrazol-3-yl)oxyacetate
CID 174197140
propyl 2-[5-(5-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
CID 174197202
methyl 2-[2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetyl]oxypropanoate
CID 167058186
methyl 2-[5-(2-fluoro-4-methylphenyl)-1-hydroxypyrazol-3-yl]oxyacetate
CID 163289752
methyl 2-[[5-(5-fluoro-3-pyridinyl)-1-hydroxy-1,2,4-triazol-3-yl]oxy]acetate
CID 170443379
methyl 2-[(5-bromo-2-pyridinyl)oxy]acetate
CID 67448774

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).