1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone

C15H18N2O — CID 61237598

IUPAC1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
SMILESCCc1c(C)nn(-c2ccccc2C(C)=O)c1C
InChIInChI=1S/C15H18N2O/c1-5-13-10(2)16-17(11(13)3)15-9-7-6-8-14(15)12(4)18/h6-9H,5H2,1-4H3
InChIKeySUNRDYGLGHTNHD-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.25
Rot. Bonds3

About 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone

1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone (PubChem CID 61237598) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
PubChem CID61237598
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
SMILESCCc1c(C)nn(-c2ccccc2C(C)=O)c1C
InChIInChI=1S/C15H18N2O/c1-5-13-10(2)16-17(11(13)3)15-9-7-6-8-14(15)12(4)18/h6-9H,5H2,1-4H3
InChIKeySUNRDYGLGHTNHD-UHFFFAOYSA-N
XLogP3.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 61238668
1-[2-amino-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 104613148
1-[3-bromo-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 55131104
5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzamide
CID 61312649
1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 79168257
ethyl 5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzoate
CID 61311892
3-[1-(2-ethylphenyl)-3,5-dimethylpyrazol-4-yl]propanoic acid
CID 82093393
1-(2,3-dichlorophenyl)-4-ethyl-3,5-dimethylpyrazole
CID 50888272
1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-6-fluorophenyl]ethanol
CID 61237972
N-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 61238667
4-ethyl-1-(2-methoxy-3-methylphenyl)-3,5-dimethylpyrazole
CID 154383743
N-ethyl-1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]propan-1-amine
CID 115995433

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone?
The IUPAC name of 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone (CID 61237598) is 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone is CCc1c(C)nn(-c2ccccc2C(C)=O)c1C.
What is the InChIKey of 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone?
The InChIKey is SUNRDYGLGHTNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-5-13-10(2)16-17(11(13)3)15-9-7-6-8-14(15)12(4)18/h6-9H,5H2,1-4H3.
What are the key properties of 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone?
1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone has a molecular weight of 242.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 61237598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).