1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethylphenoxy)ethanone

C15H18N2O2 — CID 2180897

IUPAC1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethylphenoxy)ethanone
SMILESCCc1ccc(OCC(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C15H18N2O2/c1-4-13-5-7-14(8-6-13)19-10-15(18)17-12(3)9-11(2)16-17/h5-9H,4,10H2,1-3H3
InChIKeyNRXIBTJREQLBRM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.78
Rot. Bonds4

About 1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethylphenoxy)ethanone

1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethylphenoxy)ethanone (PubChem CID 2180897) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethylphenoxy)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethylphenoxy)ethanone
PubChem CID2180897
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethylphenoxy)ethanone
SMILESCCc1ccc(OCC(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C15H18N2O2/c1-4-13-5-7-14(8-6-13)19-10-15(18)17-12(3)9-11(2)16-17/h5-9H,4,10H2,1-3H3
InChIKeyNRXIBTJREQLBRM-UHFFFAOYSA-N
XLogP2.78
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethylphenoxy)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-bromo-4-ethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 833448
2-(3,5-dimethylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
CID 2140531
1-(3,5-dimethylpyrazol-1-yl)-2-naphthalen-2-yloxyethanone
CID 3157080
2-(4-ethylphenoxy)-1-(3,4,5-trimethylpyrazol-1-yl)ethanone
CID 17170104
2-(3,5-dimethylpyrazol-1-yl)-N'-[2-(4-ethylphenoxy)acetyl]acetohydrazide
CID 26594562
1-[(4-ethylphenoxy)methyl]-3,5-dimethylpyrazole
CID 142034096
1-(3,5-dimethylpyrazol-1-yl)-2-(2-methoxyphenoxy)ethanone
CID 675703
1-(4-ethylphenoxy)propan-2-one
CID 21325379
2-(4-ethylphenoxy)-1-thiomorpholin-4-ylethanone
CID 143724139
N-[2-(3,5-dimethylpyrazol-1-yl)-5,7-dimethyl-1,3-benzothiazol-6-yl]-2-(4-ethylphenoxy)acetamide
CID 50880907
4-[2-(4-ethylphenoxy)acetyl]piperazine-2,6-dione
CID 66085533
(Z)-4-amino-1-[3-(aminomethyl)-5-methyl-1,2,4-triazol-1-yl]-5-(4-ethylphenoxy)pent-3-en-1-one;ethane
CID 143995558

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethylphenoxy)ethanone?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethylphenoxy)ethanone (CID 2180897) is 1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethylphenoxy)ethanone.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethylphenoxy)ethanone?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethylphenoxy)ethanone is CCc1ccc(OCC(=O)n2nc(C)cc2C)cc1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethylphenoxy)ethanone?
The InChIKey is NRXIBTJREQLBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-13-5-7-14(8-6-13)19-10-15(18)17-12(3)9-11(2)16-17/h5-9H,4,10H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethylphenoxy)ethanone?
1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethylphenoxy)ethanone has a molecular weight of 258.32 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpyrazol-1-yl)-2-(4-ethylphenoxy)ethanone is sourced from PubChem (CID 2180897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).