methyl 2-[2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetyl]oxypropanoate

C16H16F2N2O5 — CID 167058186

IUPACmethyl 2-[2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetyl]oxypropanoate
SMILESCOC(=O)C(C)OC(=O)COc1cc(-c2ccc(F)cc2F)n(C)n1
InChIInChI=1S/C16H16F2N2O5/c1-9(16(22)23-3)25-15(21)8-24-14-7-13(20(2)19-14)11-5-4-10(17)6-12(11)18/h4-7,9H,8H2,1-3H3
InChIKeyDIJKEYVIVTXHBK-UHFFFAOYSA-N
MW354.31 g/mol
LogP1.85
Rot. Bonds6

About methyl 2-[2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetyl]oxypropanoate

methyl 2-[2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetyl]oxypropanoate (PubChem CID 167058186) has the molecular formula C16H16F2N2O5 and a molecular weight of 354.31 g/mol. Its IUPAC name is methyl 2-[2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetyl]oxypropanoate.

Molecular Properties

Compound Namemethyl 2-[2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetyl]oxypropanoate
PubChem CID167058186
Molecular FormulaC16H16F2N2O5
Molecular Weight354.31 g/mol
Exact Mass354.10
IUPAC Namemethyl 2-[2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetyl]oxypropanoate
SMILESCOC(=O)C(C)OC(=O)COc1cc(-c2ccc(F)cc2F)n(C)n1
InChIInChI=1S/C16H16F2N2O5/c1-9(16(22)23-3)25-15(21)8-24-14-7-13(20(2)19-14)11-5-4-10(17)6-12(11)18/h4-7,9H,8H2,1-3H3
InChIKeyDIJKEYVIVTXHBK-UHFFFAOYSA-N
XLogP1.85
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetyl]oxypropanoate?
The IUPAC name of methyl 2-[2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetyl]oxypropanoate (CID 167058186) is methyl 2-[2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetyl]oxypropanoate.
What is the SMILES notation for methyl 2-[2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetyl]oxypropanoate?
The canonical SMILES for methyl 2-[2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetyl]oxypropanoate is COC(=O)C(C)OC(=O)COc1cc(-c2ccc(F)cc2F)n(C)n1.
What is the InChIKey of methyl 2-[2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetyl]oxypropanoate?
The InChIKey is DIJKEYVIVTXHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O5/c1-9(16(22)23-3)25-15(21)8-24-14-7-13(20(2)19-14)11-5-4-10(17)6-12(11)18/h4-7,9H,8H2,1-3H3.
What are the key properties of methyl 2-[2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetyl]oxypropanoate?
methyl 2-[2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetyl]oxypropanoate has a molecular weight of 354.31 g/mol, XLogP of 1.85, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetyl]oxypropanoate is sourced from PubChem (CID 167058186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).