1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one

C11H16F3N3O — CID 116588612

IUPAC1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
SMILESCCc1cc(CC(=O)CNCC(F)(F)F)n(C)n1
InChIInChI=1S/C11H16F3N3O/c1-3-8-4-9(17(2)16-8)5-10(18)6-15-7-11(12,13)14/h4,15H,3,5-7H2,1-2H3
InChIKeyOYBWLNNFUJPJMV-UHFFFAOYSA-N
MW263.26 g/mol
LogP1.25
Rot. Bonds6

About 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one

1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one (PubChem CID 116588612) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
PubChem CID116588612
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
SMILESCCc1cc(CC(=O)CNCC(F)(F)F)n(C)n1
InChIInChI=1S/C11H16F3N3O/c1-3-8-4-9(17(2)16-8)5-10(18)6-15-7-11(12,13)14/h4,15H,3,5-7H2,1-2H3
InChIKeyOYBWLNNFUJPJMV-UHFFFAOYSA-N
XLogP1.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one
CID 106677524
4-(ethylamino)-1-(3-ethyl-1-methylpyrazol-5-yl)pentan-2-one
CID 116566741
1-(3-ethyl-1-methylpyrazol-5-yl)-3,3-dimethylpentan-2-one
CID 114980926
5-amino-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-one
CID 116571684
4-amino-1-(3-ethyl-1-methylpyrazol-5-yl)-3,3,4-trimethylpentan-2-one
CID 116573647
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258433
1-(1,3-diethylpyrazol-5-yl)-3-(2-methoxyethylamino)propan-2-one
CID 116591620
1-(4-tert-butylthiadiazol-5-yl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanone
CID 105109961
2-[(3-ethyl-1-methylpyrazol-5-yl)methylamino]-2-methylbutanoic acid
CID 79801800
1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one
CID 116588500
1-(3-ethyl-1-methylpyrazol-5-yl)-4-pyridin-3-ylbutan-2-one
CID 105109905
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-5-methylphenyl)ethanone
CID 114980916

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one (CID 116588612) is 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one is CCc1cc(CC(=O)CNCC(F)(F)F)n(C)n1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one?
The InChIKey is OYBWLNNFUJPJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-3-8-4-9(17(2)16-8)5-10(18)6-15-7-11(12,13)14/h4,15H,3,5-7H2,1-2H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one?
1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one has a molecular weight of 263.26 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-5-yl)-3-(2,2,2-trifluoroethylamino)propan-2-one is sourced from PubChem (CID 116588612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).