3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)pent-3-en-2-one

C13H20N2O — CID 103447537

IUPAC3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)pent-3-en-2-one
SMILESCC=C(CC)C(=O)Cc1cc(C)nn1CC
InChIInChI=1S/C13H20N2O/c1-5-11(6-2)13(16)9-12-8-10(4)14-15(12)7-3/h5,8H,6-7,9H2,1-4H3
InChIKeyHDKFRZLWDDXDGM-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.68
Rot. Bonds5

About 3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)pent-3-en-2-one

3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)pent-3-en-2-one (PubChem CID 103447537) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)pent-3-en-2-one.

Molecular Properties

Compound Name3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)pent-3-en-2-one
PubChem CID103447537
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)pent-3-en-2-one
SMILESCC=C(CC)C(=O)Cc1cc(C)nn1CC
InChIInChI=1S/C13H20N2O/c1-5-11(6-2)13(16)9-12-8-10(4)14-15(12)7-3/h5,8H,6-7,9H2,1-4H3
InChIKeyHDKFRZLWDDXDGM-UHFFFAOYSA-N
XLogP2.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethyl-5-methylpyrazol-3-yl)hexan-2-one
CID 79405118
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
4-amino-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
CID 116550798
1-cyclooctyl-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 80601563
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 115779721
4-(dimethylamino)-1-(2-ethyl-5-methylpyrazol-3-yl)butan-2-one
CID 115345651
1-(2-ethyl-5-methylpyrazol-3-yl)-3-(propan-2-ylamino)propan-2-one
CID 116554959
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
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-(1-ethylcyclopentyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 115779670

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)pent-3-en-2-one?
The IUPAC name of 3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)pent-3-en-2-one (CID 103447537) is 3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)pent-3-en-2-one.
What is the SMILES notation for 3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)pent-3-en-2-one?
The canonical SMILES for 3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)pent-3-en-2-one is CC=C(CC)C(=O)Cc1cc(C)nn1CC.
What is the InChIKey of 3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)pent-3-en-2-one?
The InChIKey is HDKFRZLWDDXDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-11(6-2)13(16)9-12-8-10(4)14-15(12)7-3/h5,8H,6-7,9H2,1-4H3.
What are the key properties of 3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)pent-3-en-2-one?
3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)pent-3-en-2-one has a molecular weight of 220.32 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)pent-3-en-2-one is sourced from PubChem (CID 103447537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).