2-(2-ethyl-5-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]ethanone

C15H15F3N2O — CID 115779676

IUPAC2-(2-ethyl-5-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESCCn1nc(C)cc1CC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O/c1-3-20-13(8-10(2)19-20)9-14(21)11-4-6-12(7-5-11)15(16,17)18/h4-8H,3,9H2,1-2H3
InChIKeyDFVBJWSDXGTJIF-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.66
Rot. Bonds4

About 2-(2-ethyl-5-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]ethanone

2-(2-ethyl-5-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 115779676) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID115779676
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name2-(2-ethyl-5-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]ethanone
SMILESCCn1nc(C)cc1CC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H15F3N2O/c1-3-20-13(8-10(2)19-20)9-14(21)11-4-6-12(7-5-11)15(16,17)18/h4-8H,3,9H2,1-2H3
InChIKeyDFVBJWSDXGTJIF-UHFFFAOYSA-N
XLogP3.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 107996478
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-methylsulfonylphenyl)ethanone
CID 115779650
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(5-methylfuran-2-yl)ethanone
CID 115779560
1-(2,5-dimethylphenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 115779644
1-(2-amino-5-fluorophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 82685309
3-amino-1-(2-ethyl-5-methylpyrazol-3-yl)-3-methylbutan-2-one
CID 116560245
1-(2-ethyl-5-methylpyrazol-3-yl)-3,3-dimethylpentan-2-one
CID 115779757
1-(6-methyl-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 114971487
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethanone
CID 102811780
1-(2-ethyl-5-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 105091094
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(thiadiazol-4-yl)ethanone
CID 105111985
1-(5-bromo-2-iodophenyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 114032476

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]ethanone (CID 115779676) is 2-(2-ethyl-5-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]ethanone is CCn1nc(C)cc1CC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is DFVBJWSDXGTJIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c1-3-20-13(8-10(2)19-20)9-14(21)11-4-6-12(7-5-11)15(16,17)18/h4-8H,3,9H2,1-2H3.
What are the key properties of 2-(2-ethyl-5-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]ethanone?
2-(2-ethyl-5-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 296.29 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrazol-3-yl)-1-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 115779676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).