ethyl 2-[3-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate

C15H15F2N3O4 — CID 5303476

IUPACethyl 2-[3-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1ccc(NC(=O)COc2ccc(F)cc2F)n1
InChIInChI=1S/C15H15F2N3O4/c1-2-23-15(22)8-20-6-5-13(19-20)18-14(21)9-24-12-4-3-10(16)7-11(12)17/h3-7H,2,8-9H2,1H3,(H,18,19,21)
InChIKeyGSHAXXLVZFNTAU-UHFFFAOYSA-N
MW339.30 g/mol
LogP1.74
Rot. Bonds7

About ethyl 2-[3-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate

ethyl 2-[3-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate (PubChem CID 5303476) has the molecular formula C15H15F2N3O4 and a molecular weight of 339.30 g/mol. Its IUPAC name is ethyl 2-[3-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate
PubChem CID5303476
Molecular FormulaC15H15F2N3O4
Molecular Weight339.30 g/mol
Exact Mass339.10
IUPAC Nameethyl 2-[3-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1ccc(NC(=O)COc2ccc(F)cc2F)n1
InChIInChI=1S/C15H15F2N3O4/c1-2-23-15(22)8-20-6-5-13(19-20)18-14(21)9-24-12-4-3-10(16)7-11(12)17/h3-7H,2,8-9H2,1H3,(H,18,19,21)
InChIKeyGSHAXXLVZFNTAU-UHFFFAOYSA-N
XLogP1.74
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate (CID 5303476) is ethyl 2-[3-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate is CCOC(=O)Cn1ccc(NC(=O)COc2ccc(F)cc2F)n1.
What is the InChIKey of ethyl 2-[3-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate?
The InChIKey is GSHAXXLVZFNTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2N3O4/c1-2-23-15(22)8-20-6-5-13(19-20)18-14(21)9-24-12-4-3-10(16)7-11(12)17/h3-7H,2,8-9H2,1H3,(H,18,19,21).
What are the key properties of ethyl 2-[3-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate?
ethyl 2-[3-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate has a molecular weight of 339.30 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[[2-(2,4-difluorophenoxy)acetyl]amino]pyrazol-1-yl]acetate is sourced from PubChem (CID 5303476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).