methyl 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]oxyacetate

C13H13FN2O3 — CID 167058142

IUPACmethyl 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]oxyacetate
SMILESCOC(=O)COc1cc(-c2ccc(F)cc2)n(C)n1
InChIInChI=1S/C13H13FN2O3/c1-16-11(9-3-5-10(14)6-4-9)7-12(15-16)19-8-13(17)18-2/h3-7H,8H2,1-2H3
InChIKeyDYMLDQXQZOBRPZ-UHFFFAOYSA-N
MW264.26 g/mol
LogP1.78
Rot. Bonds4

About methyl 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]oxyacetate

methyl 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]oxyacetate (PubChem CID 167058142) has the molecular formula C13H13FN2O3 and a molecular weight of 264.26 g/mol. Its IUPAC name is methyl 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]oxyacetate
PubChem CID167058142
Molecular FormulaC13H13FN2O3
Molecular Weight264.26 g/mol
Exact Mass264.09
IUPAC Namemethyl 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]oxyacetate
SMILESCOC(=O)COc1cc(-c2ccc(F)cc2)n(C)n1
InChIInChI=1S/C13H13FN2O3/c1-16-11(9-3-5-10(14)6-4-9)7-12(15-16)19-8-13(17)18-2/h3-7H,8H2,1-2H3
InChIKeyDYMLDQXQZOBRPZ-UHFFFAOYSA-N
XLogP1.78
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(1-methyl-5-pyrimidin-5-ylpyrazol-3-yl)oxyacetate
CID 163289689
ethane;methyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 163289733
methyl 2-[5-(2-ethylphenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 163289746
methyl 2-[5-(3-chloro-2-pyridinyl)-1-methylpyrazol-3-yl]oxyacetate
CID 174197193
methyl 2-[2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetyl]oxypropanoate
CID 167058186
[5-(4-fluorophenyl)-1-methylpyrazol-3-yl] trifluoromethanesulfonate
CID 23571143
2-[5-(4-fluoro-2-phosphanylphenyl)-1-methylpyrazol-3-yl]oxyacetic acid
CID 167064998
methyl 2-(4-fluorophenoxy)acetate
CID 580550
methyl 2-[5-(2-fluoro-4-methylphenyl)-1-hydroxypyrazol-3-yl]oxyacetate
CID 163289752
ethyl 2-[5-(3-chlorophenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 167058272
oxolan-3-ylmethyl 2-[5-(2,4-difluorophenyl)-1-methylpyrazol-3-yl]oxyacetate
CID 167065109
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]oxyacetate?
The IUPAC name of methyl 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]oxyacetate (CID 167058142) is methyl 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]oxyacetate.
What is the SMILES notation for methyl 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]oxyacetate?
The canonical SMILES for methyl 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]oxyacetate is COC(=O)COc1cc(-c2ccc(F)cc2)n(C)n1.
What is the InChIKey of methyl 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]oxyacetate?
The InChIKey is DYMLDQXQZOBRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3/c1-16-11(9-3-5-10(14)6-4-9)7-12(15-16)19-8-13(17)18-2/h3-7H,8H2,1-2H3.
What are the key properties of methyl 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]oxyacetate?
methyl 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]oxyacetate has a molecular weight of 264.26 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]oxyacetate is sourced from PubChem (CID 167058142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).