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

C14H16N2O2 — CID 755798

IUPAC1-(3,5-dimethylpyrazol-1-yl)-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C14H16N2O2/c1-10-4-6-13(7-5-10)18-9-14(17)16-12(3)8-11(2)15-16/h4-8H,9H2,1-3H3
InChIKeyXKNHJFNUEUVAJJ-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.53
Rot. Bonds3

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

1-(3,5-dimethylpyrazol-1-yl)-2-(4-methylphenoxy)ethanone (PubChem CID 755798) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(3,5-dimethylpyrazol-1-yl)-2-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpyrazol-1-yl)-2-(4-methylphenoxy)ethanone
PubChem CID755798
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-(3,5-dimethylpyrazol-1-yl)-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)n2nc(C)cc2C)cc1
InChIInChI=1S/C14H16N2O2/c1-10-4-6-13(7-5-10)18-9-14(17)16-12(3)8-11(2)15-16/h4-8H,9H2,1-3H3
InChIKeyXKNHJFNUEUVAJJ-UHFFFAOYSA-N
XLogP2.53
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,5-dimethylpyrazol-1-yl)-2-(4-methylphenoxy)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

N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-2-(3-methylphenoxy)acetamide
CID 658913
1-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(4-nitrophenoxy)ethanone
CID 675601
1-(3,5-Dimethylpyrazol-1-yl)-2-(2-methylphenoxy)ethanone
CID 730205
N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)-2-(p-tolyloxy)acetamide
CID 135752958
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
1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(p-tolyloxy)propan-2-ol
CID 3144351
2-(2,6-dimethylphenoxy)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide
CID 6457385
2-(2,4-Dimethyl-phenoxy)-1-(3,5-dimethyl-pyrazol-1-yl)-ethanone
CID 1090340
1-(3,5-dimethyl-4-(p-tolylthio)-1H-pyrazol-1-yl)-2-(4-fluorophenoxy)ethanone
CID 1191530
[2-[(3,5-Dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139544
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-2-phenoxyacetamide
CID 661935

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-2-(4-methylphenoxy)ethanone?
The IUPAC name of 1-(3,5-dimethylpyrazol-1-yl)-2-(4-methylphenoxy)ethanone (CID 755798) is 1-(3,5-dimethylpyrazol-1-yl)-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-(3,5-dimethylpyrazol-1-yl)-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-(3,5-dimethylpyrazol-1-yl)-2-(4-methylphenoxy)ethanone is Cc1ccc(OCC(=O)n2nc(C)cc2C)cc1.
What is the InChIKey of 1-(3,5-dimethylpyrazol-1-yl)-2-(4-methylphenoxy)ethanone?
The InChIKey is XKNHJFNUEUVAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-4-6-13(7-5-10)18-9-14(17)16-12(3)8-11(2)15-16/h4-8H,9H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpyrazol-1-yl)-2-(4-methylphenoxy)ethanone?
1-(3,5-dimethylpyrazol-1-yl)-2-(4-methylphenoxy)ethanone has a molecular weight of 244.29 g/mol, XLogP of 2.53, 3 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-methylphenoxy)ethanone is sourced from PubChem (CID 755798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).