1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]ethanone

C15H18N2O — CID 55110817

IUPAC1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nn(CCc2ccccc2)c1C
InChIInChI=1S/C15H18N2O/c1-11-15(13(3)18)12(2)17(16-11)10-9-14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3
InChIKeyBGWBHRBQCORAEG-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.95
Rot. Bonds4

About 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]ethanone

1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]ethanone (PubChem CID 55110817) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]ethanone
PubChem CID55110817
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]ethanone
SMILESCC(=O)c1c(C)nn(CCc2ccccc2)c1C
InChIInChI=1S/C15H18N2O/c1-11-15(13(3)18)12(2)17(16-11)10-9-14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3
InChIKeyBGWBHRBQCORAEG-UHFFFAOYSA-N
XLogP2.95
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[1-(2-phenylethyl)piperidin-3-yl]acetamide
CID 45252270
1-benzyl-3,5-dimethylpyrazole-4-carboxylic acid
CID 2826762
3,5-dimethyl-1-(2-phenylethyl)pyrazole-4-sulfonyl chloride
CID 54929599
1-(1-hexyl-3,5-dimethylpyrazol-4-yl)ethanone
CID 62726492
1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-1-ol
CID 62732173
1-[1-[(3,5-dimethylphenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanone
CID 62726881
1-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanone
CID 62727450
1-[3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-4-yl]ethanone
CID 112591651
1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]propan-2-amine
CID 62730416
1-[3,5-dimethyl-1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanone
CID 62727449
3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(4-phenylbutyl)pyrazole-4-carboxamide
CID 24563594
[3,5-dimethyl-1-(3-phenylpropyl)pyrazol-4-yl]methanol
CID 43647400

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]ethanone?
The IUPAC name of 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]ethanone (CID 55110817) is 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]ethanone is CC(=O)c1c(C)nn(CCc2ccccc2)c1C.
What is the InChIKey of 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]ethanone?
The InChIKey is BGWBHRBQCORAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-15(13(3)18)12(2)17(16-11)10-9-14-7-5-4-6-8-14/h4-8H,9-10H2,1-3H3.
What are the key properties of 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]ethanone?
1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]ethanone has a molecular weight of 242.32 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-dimethyl-1-(2-phenylethyl)pyrazol-4-yl]ethanone is sourced from PubChem (CID 55110817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).