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

C15H18N2O2 — CID 2140531

IUPAC2-(3,5-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCc1cc(C)cc(OCC(=O)n2nc(C)cc2C)c1
InChIInChI=1S/C15H18N2O2/c1-10-5-11(2)7-14(6-10)19-9-15(18)17-13(4)8-12(3)16-17/h5-8H,9H2,1-4H3
InChIKeyYGPIOFZUQBBJSY-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.84
Rot. Bonds3

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

2-(3,5-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone (PubChem CID 2140531) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
PubChem CID2140531
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(3,5-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
SMILESCc1cc(C)cc(OCC(=O)n2nc(C)cc2C)c1
InChIInChI=1S/C15H18N2O2/c1-10-5-11(2)7-14(6-10)19-9-15(18)17-13(4)8-12(3)16-17/h5-8H,9H2,1-4H3
InChIKeyYGPIOFZUQBBJSY-UHFFFAOYSA-N
XLogP2.84
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethylphenoxy)ethanone
CID 2180897
1-(3,5-dimethylpyrazol-1-yl)-2-naphthalen-2-yloxyethanone
CID 3157080
1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyphenoxy)ethanone
CID 675703
1-(3,5-dimethylpyrazol-1-yl)-4-(3-methylphenoxy)butan-1-one
CID 94281917
2-(2-bromo-4-ethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 833448
(Z)-1,4-bis(3,5-dimethylpyrazol-1-yl)but-2-ene-1,4-dione
CID 5412984
3,4,4-trichloro-1-(3,5-dimethylpyrazol-1-yl)but-3-en-1-one
CID 3891086
1-[2-(3,5-dimethylphenoxy)acetyl]piperidin-4-one
CID 39361344
ethyl 4-[2-(3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate
CID 3334137
2-(3,5-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 21173488
1-(3,5-dimethylpyrazol-1-yl)nonan-1-one
CID 3287387
2-(3,5-dimethylphenoxy)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 2381168

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The IUPAC name of 2-(3,5-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone (CID 2140531) is 2-(3,5-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone is Cc1cc(C)cc(OCC(=O)n2nc(C)cc2C)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The InChIKey is YGPIOFZUQBBJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-5-11(2)7-14(6-10)19-9-15(18)17-13(4)8-12(3)16-17/h5-8H,9H2,1-4H3.
What are the key properties of 2-(3,5-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
2-(3,5-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone has a molecular weight of 258.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone is sourced from PubChem (CID 2140531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).