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

C15H18N2O — CID 79168257

IUPAC1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
SMILESCCc1c(C)nn(-c2cccc(C(C)=O)c2)c1C
InChIInChI=1S/C15H18N2O/c1-5-15-10(2)16-17(11(15)3)14-8-6-7-13(9-14)12(4)18/h6-9H,5H2,1-4H3
InChIKeyAMPLFLYXEXBSEH-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.25
Rot. Bonds3

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

1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone (PubChem CID 79168257) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
PubChem CID79168257
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
SMILESCCc1c(C)nn(-c2cccc(C(C)=O)c2)c1C
InChIInChI=1S/C15H18N2O/c1-5-15-10(2)16-17(11(15)3)14-8-6-7-13(9-14)12(4)18/h6-9H,5H2,1-4H3
InChIKeyAMPLFLYXEXBSEH-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

1-[3-bromo-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 55131104
1-[2-amino-5-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 104613148
1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 61237598
methyl 3-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]benzoate
CID 84760298
3-acetyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 9191226
1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
CID 79170217
butyl 3-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]benzoate
CID 84760296
propan-2-yl 3-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]benzoate
CID 84760299
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzaldehyde
CID 61238841
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylbenzonitrile
CID 81281768
methyl 3-(3,4,5-trimethylpyrazol-1-yl)benzoate
CID 50888948
N-(3-acetylphenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfanylacetamide
CID 9209621

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone?
The IUPAC name of 1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone (CID 79168257) is 1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone is CCc1c(C)nn(-c2cccc(C(C)=O)c2)c1C.
What is the InChIKey of 1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone?
The InChIKey is AMPLFLYXEXBSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-5-15-10(2)16-17(11(15)3)14-8-6-7-13(9-14)12(4)18/h6-9H,5H2,1-4H3.
What are the key properties of 1-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone?
1-[3-(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-[3-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 79168257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).