ethyl 2-[5-(5-fluoro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate

C13H14FN3O3 — CID 167062900

IUPACethyl 2-[5-(5-fluoro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
SMILESCCOC(=O)COc1cc(-c2cncc(F)c2)n(C)n1
InChIInChI=1S/C13H14FN3O3/c1-3-19-13(18)8-20-12-5-11(17(2)16-12)9-4-10(14)7-15-6-9/h4-7H,3,8H2,1-2H3
InChIKeyBBYPJVMANQBETF-UHFFFAOYSA-N
MW279.27 g/mol
LogP1.56
Rot. Bonds5

About ethyl 2-[5-(5-fluoro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate

ethyl 2-[5-(5-fluoro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate (PubChem CID 167062900) has the molecular formula C13H14FN3O3 and a molecular weight of 279.27 g/mol. Its IUPAC name is ethyl 2-[5-(5-fluoro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[5-(5-fluoro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
PubChem CID167062900
Molecular FormulaC13H14FN3O3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC Nameethyl 2-[5-(5-fluoro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
SMILESCCOC(=O)COc1cc(-c2cncc(F)c2)n(C)n1
InChIInChI=1S/C13H14FN3O3/c1-3-19-13(18)8-20-12-5-11(17(2)16-12)9-4-10(14)7-15-6-9/h4-7H,3,8H2,1-2H3
InChIKeyBBYPJVMANQBETF-UHFFFAOYSA-N
XLogP1.56
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(5-fluoro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate?
The IUPAC name of ethyl 2-[5-(5-fluoro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate (CID 167062900) is ethyl 2-[5-(5-fluoro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[5-(5-fluoro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate?
The canonical SMILES for ethyl 2-[5-(5-fluoro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate is CCOC(=O)COc1cc(-c2cncc(F)c2)n(C)n1.
What is the InChIKey of ethyl 2-[5-(5-fluoro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate?
The InChIKey is BBYPJVMANQBETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O3/c1-3-19-13(18)8-20-12-5-11(17(2)16-12)9-4-10(14)7-15-6-9/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[5-(5-fluoro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate?
ethyl 2-[5-(5-fluoro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate has a molecular weight of 279.27 g/mol, XLogP of 1.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(5-fluoro-3-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate is sourced from PubChem (CID 167062900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).