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

C14H16N2O — CID 3705199

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cn2nc(C)cc2C)cc1
InChIInChI=1S/C14H16N2O/c1-10-4-6-13(7-5-10)14(17)9-16-12(3)8-11(2)15-16/h4-8H,9H2,1-3H3
InChIKeyXONVRYKPDFKWGG-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.69
Rot. Bonds3

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

2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanone (PubChem CID 3705199) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanone
PubChem CID3705199
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanone
SMILESCc1ccc(C(=O)Cn2nc(C)cc2C)cc1
InChIInChI=1S/C14H16N2O/c1-10-4-6-13(7-5-10)14(17)9-16-12(3)8-11(2)15-16/h4-8H,9H2,1-3H3
InChIKeyXONVRYKPDFKWGG-UHFFFAOYSA-N
XLogP2.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanone (CID 3705199) is 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanone is Cc1ccc(C(=O)Cn2nc(C)cc2C)cc1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanone?
The InChIKey is XONVRYKPDFKWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-4-6-13(7-5-10)14(17)9-16-12(3)8-11(2)15-16/h4-8H,9H2,1-3H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanone has a molecular weight of 228.29 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-(4-methylphenyl)ethanone is sourced from PubChem (CID 3705199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).