2-(2-methoxyphenoxy)-1-(3,4,5-trimethylpyrazol-1-yl)ethanone

C15H18N2O3 — CID 17170096

IUPAC2-(2-methoxyphenoxy)-1-(3,4,5-trimethylpyrazol-1-yl)ethanone
SMILESCOc1ccccc1OCC(=O)n1nc(C)c(C)c1C
InChIInChI=1S/C15H18N2O3/c1-10-11(2)16-17(12(10)3)15(18)9-20-14-8-6-5-7-13(14)19-4/h5-8H,9H2,1-4H3
InChIKeyIHMRVQPAZJTLFL-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.54
Rot. Bonds4

About 2-(2-methoxyphenoxy)-1-(3,4,5-trimethylpyrazol-1-yl)ethanone

2-(2-methoxyphenoxy)-1-(3,4,5-trimethylpyrazol-1-yl)ethanone (PubChem CID 17170096) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-1-(3,4,5-trimethylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-1-(3,4,5-trimethylpyrazol-1-yl)ethanone
PubChem CID17170096
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(2-methoxyphenoxy)-1-(3,4,5-trimethylpyrazol-1-yl)ethanone
SMILESCOc1ccccc1OCC(=O)n1nc(C)c(C)c1C
InChIInChI=1S/C15H18N2O3/c1-10-11(2)16-17(12(10)3)15(18)9-20-14-8-6-5-7-13(14)19-4/h5-8H,9H2,1-4H3
InChIKeyIHMRVQPAZJTLFL-UHFFFAOYSA-N
XLogP2.54
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-Dimethylpyrazol-1-yl)-2-(2-methylphenoxy)ethanone
CID 730205
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2-(4-methylphenoxy)acetamide
CID 661649
1-[(2,6-dimethylphenoxy)acetyl]-3,5-dimethyl-1H-pyrazole
CID 969139
2-(2,4-Dimethyl-phenoxy)-1-(3,5-dimethyl-pyrazol-1-yl)-ethanone
CID 1090340
3,5-dimethyl-4-[(4-methylphenyl)thio]-1-(phenoxyacetyl)-1H-pyrazole
CID 1351690
1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-(4-methylphenoxy)ethan-1-one
CID 755798
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 9501828
2-(4-methoxyphenoxy)-1-(3,4,5-trimethyl-1H-pyrazol-1-yl)ethanone
CID 17620564
Ethanone, 2-(2-fluorophenoxy)-1-(3,5-dimethyl-1-pyrazolyl)-
CID 573326
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide
CID 4612430
1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenoxyethanone
CID 667849
1-(3,5-Dimethylpyrazol-1-yl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 675694

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-1-(3,4,5-trimethylpyrazol-1-yl)ethanone?
The IUPAC name of 2-(2-methoxyphenoxy)-1-(3,4,5-trimethylpyrazol-1-yl)ethanone (CID 17170096) is 2-(2-methoxyphenoxy)-1-(3,4,5-trimethylpyrazol-1-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyphenoxy)-1-(3,4,5-trimethylpyrazol-1-yl)ethanone?
The canonical SMILES for 2-(2-methoxyphenoxy)-1-(3,4,5-trimethylpyrazol-1-yl)ethanone is COc1ccccc1OCC(=O)n1nc(C)c(C)c1C.
What is the InChIKey of 2-(2-methoxyphenoxy)-1-(3,4,5-trimethylpyrazol-1-yl)ethanone?
The InChIKey is IHMRVQPAZJTLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10-11(2)16-17(12(10)3)15(18)9-20-14-8-6-5-7-13(14)19-4/h5-8H,9H2,1-4H3.
What are the key properties of 2-(2-methoxyphenoxy)-1-(3,4,5-trimethylpyrazol-1-yl)ethanone?
2-(2-methoxyphenoxy)-1-(3,4,5-trimethylpyrazol-1-yl)ethanone has a molecular weight of 274.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-1-(3,4,5-trimethylpyrazol-1-yl)ethanone is sourced from PubChem (CID 17170096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).