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

C18H15F2N3O3 — CID 163289731

IUPACethyl 2-[5-(3-fluorophenyl)-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]oxyacetate
SMILESCCOC(=O)COc1cc(-c2cccc(F)c2)n(-c2ncccc2F)n1
InChIInChI=1S/C18H15F2N3O3/c1-2-25-17(24)11-26-16-10-15(12-5-3-6-13(19)9-12)23(22-16)18-14(20)7-4-8-21-18/h3-10H,2,11H2,1H3
InChIKeyUYUBDRUYHUXSCT-UHFFFAOYSA-N
MW359.33 g/mol
LogP3.15
Rot. Bonds6

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

ethyl 2-[5-(3-fluorophenyl)-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]oxyacetate (PubChem CID 163289731) has the molecular formula C18H15F2N3O3 and a molecular weight of 359.33 g/mol. Its IUPAC name is ethyl 2-[5-(3-fluorophenyl)-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[5-(3-fluorophenyl)-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]oxyacetate
PubChem CID163289731
Molecular FormulaC18H15F2N3O3
Molecular Weight359.33 g/mol
Exact Mass359.11
IUPAC Nameethyl 2-[5-(3-fluorophenyl)-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]oxyacetate
SMILESCCOC(=O)COc1cc(-c2cccc(F)c2)n(-c2ncccc2F)n1
InChIInChI=1S/C18H15F2N3O3/c1-2-25-17(24)11-26-16-10-15(12-5-3-6-13(19)9-12)23(22-16)18-14(20)7-4-8-21-18/h3-10H,2,11H2,1H3
InChIKeyUYUBDRUYHUXSCT-UHFFFAOYSA-N
XLogP3.15
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(3-fluorophenyl)-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]oxyacetate?
The IUPAC name of ethyl 2-[5-(3-fluorophenyl)-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]oxyacetate (CID 163289731) is ethyl 2-[5-(3-fluorophenyl)-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[5-(3-fluorophenyl)-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]oxyacetate?
The canonical SMILES for ethyl 2-[5-(3-fluorophenyl)-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]oxyacetate is CCOC(=O)COc1cc(-c2cccc(F)c2)n(-c2ncccc2F)n1.
What is the InChIKey of ethyl 2-[5-(3-fluorophenyl)-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]oxyacetate?
The InChIKey is UYUBDRUYHUXSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O3/c1-2-25-17(24)11-26-16-10-15(12-5-3-6-13(19)9-12)23(22-16)18-14(20)7-4-8-21-18/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 2-[5-(3-fluorophenyl)-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]oxyacetate?
ethyl 2-[5-(3-fluorophenyl)-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]oxyacetate has a molecular weight of 359.33 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(3-fluorophenyl)-1-(3-fluoro-2-pyridinyl)pyrazol-3-yl]oxyacetate is sourced from PubChem (CID 163289731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).