1-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]ethanone

C14H16N2O — CID 43381602

IUPAC1-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(-c2ccc(C)cc2C)c1C
InChIInChI=1S/C14H16N2O/c1-9-5-6-14(10(2)7-9)16-11(3)13(8-15-16)12(4)17/h5-8H,1-4H3
InChIKeyNSOANUKADBSQGX-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.00
Rot. Bonds2

About 1-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]ethanone

1-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]ethanone (PubChem CID 43381602) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]ethanone
PubChem CID43381602
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name1-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]ethanone
SMILESCC(=O)c1cnn(-c2ccc(C)cc2C)c1C
InChIInChI=1S/C14H16N2O/c1-9-5-6-14(10(2)7-9)16-11(3)13(8-15-16)12(4)17/h5-8H,1-4H3
InChIKeyNSOANUKADBSQGX-UHFFFAOYSA-N
XLogP3.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)-5-methylpyrazol-4-amine
CID 60865980
2-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]propan-2-ol
CID 82528554
1-[4-acetyl-1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]ethanone
CID 2243422
1-(2,5-dimethylphenyl)-5-methyl-N-methylsulfonylpyrazole-4-carboxamide
CID 146154766
ethyl 1-(4-fluoro-2-methylphenyl)-5-methylpyrazole-4-carboxylate
CID 55258068
1-[1-(4-chloro-2-pyridinyl)-5-methylpyrazol-4-yl]ethanone
CID 90327142
1-[1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)pyrazol-3-yl]ethanone
CID 168890623
1-(2,4-dimethylphenyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 39348257
1-[1-(6-anilinopyrimidin-4-yl)-5-methylpyrazol-4-yl]ethanone
CID 15944231
5-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]-1,3,4-thiadiazol-2-amine
CID 82528550
1-(4-hydroxy-2-methylphenyl)-5-(2-methylprop-1-enyl)pyrazole-4-carboxylic acid
CID 82361615
1-(2,5-dimethylphenyl)-N-[3-fluoro-4-(1,2,4-triazol-1-yl)phenyl]-5-methylpyrazole-4-carboxamide
CID 99590027

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]ethanone?
The IUPAC name of 1-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]ethanone (CID 43381602) is 1-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]ethanone?
The canonical SMILES for 1-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]ethanone is CC(=O)c1cnn(-c2ccc(C)cc2C)c1C.
What is the InChIKey of 1-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]ethanone?
The InChIKey is NSOANUKADBSQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9-5-6-14(10(2)7-9)16-11(3)13(8-15-16)12(4)17/h5-8H,1-4H3.
What are the key properties of 1-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]ethanone?
1-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]ethanone has a molecular weight of 228.29 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethylphenyl)-5-methylpyrazol-4-yl]ethanone is sourced from PubChem (CID 43381602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).