1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyphenoxy)ethanone

C14H16N2O3 — CID 675703

IUPAC1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)n1nc(C)cc1C
InChIInChI=1S/C14H16N2O3/c1-10-8-11(2)16(15-10)14(17)9-19-13-7-5-4-6-12(13)18-3/h4-8H,9H2,1-3H3
InChIKeyVPTOAOMPJPXYGI-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.23
Rot. Bonds4

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

1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyphenoxy)ethanone (PubChem CID 675703) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyphenoxy)ethanone
PubChem CID675703
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyphenoxy)ethanone
SMILESCOc1ccccc1OCC(=O)n1nc(C)cc1C
InChIInChI=1S/C14H16N2O3/c1-10-8-11(2)16(15-10)14(17)9-19-13-7-5-4-6-12(13)18-3/h4-8H,9H2,1-3H3
InChIKeyVPTOAOMPJPXYGI-UHFFFAOYSA-N
XLogP2.23
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 2140531
1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethylphenoxy)ethanone
CID 2180897
N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-2-(2-methoxyphenoxy)acetamide
CID 110493267
3-(2,4-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)propan-1-one
CID 94281950
N-[2-[2-(3,5-dimethylpyrazol-1-yl)-1,3-thiazol-4-yl]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 90570891
N-[2-(3,5-dimethylpyrazol-1-yl)-2-thiophen-2-ylethyl]-2-(2-methoxyphenoxy)acetamide
CID 122264672
1-(3,5-dimethylpyrazol-1-yl)-4-(3-methylphenoxy)butan-1-one
CID 94281917
2-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050367
2-(2-methoxyphenoxy)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
CID 92555831
4-[2-(2-methoxyphenoxy)acetyl]piperazine-1-carbothioamide
CID 2050365
1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 121160844
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 823385

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyphenoxy)ethanone?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyphenoxy)ethanone (CID 675703) is 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyphenoxy)ethanone?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyphenoxy)ethanone is COc1ccccc1OCC(=O)n1nc(C)cc1C.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyphenoxy)ethanone?
The InChIKey is VPTOAOMPJPXYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-8-11(2)16(15-10)14(17)9-19-13-7-5-4-6-12(13)18-3/h4-8H,9H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyphenoxy)ethanone?
1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyphenoxy)ethanone has a molecular weight of 260.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyphenoxy)ethanone is sourced from PubChem (CID 675703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).