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

C12H14N4O3 — CID 174197140

IUPACethyl 2-(1-methyl-5-pyrimidin-2-ylpyrazol-3-yl)oxyacetate
SMILESCCOC(=O)COc1cc(-c2ncccn2)n(C)n1
InChIInChI=1S/C12H14N4O3/c1-3-18-11(17)8-19-10-7-9(16(2)15-10)12-13-5-4-6-14-12/h4-7H,3,8H2,1-2H3
InChIKeyKUPBRWNPPZUYTN-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.82
Rot. Bonds5

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

ethyl 2-(1-methyl-5-pyrimidin-2-ylpyrazol-3-yl)oxyacetate (PubChem CID 174197140) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is ethyl 2-(1-methyl-5-pyrimidin-2-ylpyrazol-3-yl)oxyacetate.

Molecular Properties

Compound Nameethyl 2-(1-methyl-5-pyrimidin-2-ylpyrazol-3-yl)oxyacetate
PubChem CID174197140
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Nameethyl 2-(1-methyl-5-pyrimidin-2-ylpyrazol-3-yl)oxyacetate
SMILESCCOC(=O)COc1cc(-c2ncccn2)n(C)n1
InChIInChI=1S/C12H14N4O3/c1-3-18-11(17)8-19-10-7-9(16(2)15-10)12-13-5-4-6-14-12/h4-7H,3,8H2,1-2H3
InChIKeyKUPBRWNPPZUYTN-UHFFFAOYSA-N
XLogP0.82
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methyl-5-pyrimidin-2-ylpyrazol-3-yl)oxyacetate?
The IUPAC name of ethyl 2-(1-methyl-5-pyrimidin-2-ylpyrazol-3-yl)oxyacetate (CID 174197140) is ethyl 2-(1-methyl-5-pyrimidin-2-ylpyrazol-3-yl)oxyacetate.
What is the SMILES notation for ethyl 2-(1-methyl-5-pyrimidin-2-ylpyrazol-3-yl)oxyacetate?
The canonical SMILES for ethyl 2-(1-methyl-5-pyrimidin-2-ylpyrazol-3-yl)oxyacetate is CCOC(=O)COc1cc(-c2ncccn2)n(C)n1.
What is the InChIKey of ethyl 2-(1-methyl-5-pyrimidin-2-ylpyrazol-3-yl)oxyacetate?
The InChIKey is KUPBRWNPPZUYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-3-18-11(17)8-19-10-7-9(16(2)15-10)12-13-5-4-6-14-12/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-(1-methyl-5-pyrimidin-2-ylpyrazol-3-yl)oxyacetate?
ethyl 2-(1-methyl-5-pyrimidin-2-ylpyrazol-3-yl)oxyacetate has a molecular weight of 262.27 g/mol, XLogP of 0.82, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methyl-5-pyrimidin-2-ylpyrazol-3-yl)oxyacetate is sourced from PubChem (CID 174197140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).