[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate

C16H15F3N2O5 — CID 55312464

IUPAC[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate
SMILESCOc1ccc(C(=O)COC(=O)Cn2ccc(C(F)(F)F)n2)c(OC)c1
InChIInChI=1S/C16H15F3N2O5/c1-24-10-3-4-11(13(7-10)25-2)12(22)9-26-15(23)8-21-6-5-14(20-21)16(17,18)19/h3-7H,8-9H2,1-2H3
InChIKeyRAIMRXKJXHRBBV-UHFFFAOYSA-N
MW372.30 g/mol
LogP2.35
Rot. Bonds7

About [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate

[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate (PubChem CID 55312464) has the molecular formula C16H15F3N2O5 and a molecular weight of 372.30 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate
PubChem CID55312464
Molecular FormulaC16H15F3N2O5
Molecular Weight372.30 g/mol
Exact Mass372.09
IUPAC Name[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate
SMILESCOc1ccc(C(=O)COC(=O)Cn2ccc(C(F)(F)F)n2)c(OC)c1
InChIInChI=1S/C16H15F3N2O5/c1-24-10-3-4-11(13(7-10)25-2)12(22)9-26-15(23)8-21-6-5-14(20-21)16(17,18)19/h3-7H,8-9H2,1-2H3
InChIKeyRAIMRXKJXHRBBV-UHFFFAOYSA-N
XLogP2.35
TPSA79.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 55312423
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]acetate
CID 55459847
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2353634
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetate
CID 2535479
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7209767
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854085
N-(3,5-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9096694
[4-(trifluoromethoxy)phenyl]methyl 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 55547387
[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 55312409
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842228
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8914767
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-ethylbutanoate
CID 2463382

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate (CID 55312464) is [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate is COc1ccc(C(=O)COC(=O)Cn2ccc(C(F)(F)F)n2)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate?
The InChIKey is RAIMRXKJXHRBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O5/c1-24-10-3-4-11(13(7-10)25-2)12(22)9-26-15(23)8-21-6-5-14(20-21)16(17,18)19/h3-7H,8-9H2,1-2H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate?
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate has a molecular weight of 372.30 g/mol, XLogP of 2.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate is sourced from PubChem (CID 55312464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).