2-ethoxy-2-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-one

C15H26N2O3 — CID 114642687

IUPAC2-ethoxy-2-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-one
SMILESCCOC(CC)(CC)C(=O)c1c(OC)cnn1C(C)C
InChIInChI=1S/C15H26N2O3/c1-7-15(8-2,20-9-3)14(18)13-12(19-6)10-16-17(13)11(4)5/h10-11H,7-9H2,1-6H3
InChIKeyQAHJSWOCWXQBLS-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.25
Rot. Bonds8

About 2-ethoxy-2-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-one

2-ethoxy-2-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-one (PubChem CID 114642687) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 2-ethoxy-2-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-one.

Molecular Properties

Compound Name2-ethoxy-2-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-one
PubChem CID114642687
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name2-ethoxy-2-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-one
SMILESCCOC(CC)(CC)C(=O)c1c(OC)cnn1C(C)C
InChIInChI=1S/C15H26N2O3/c1-7-15(8-2,20-9-3)14(18)13-12(19-6)10-16-17(13)11(4)5/h10-11H,7-9H2,1-6H3
InChIKeyQAHJSWOCWXQBLS-UHFFFAOYSA-N
XLogP3.25
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Butoxy-1-tert-butylpyrazol-3-yl)ethanone
CID 122156261
1-[4-(2-Cyclobutylethoxy)-1-methylpyrazol-3-yl]ethanone
CID 132392083
1-(4-Methoxy-1-propylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103146939
1-(4-Methoxy-1-propan-2-ylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103146971
3-(2,2-Difluoroethoxy)-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one
CID 103147230
3-(2,2-Difluoroethoxy)-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-one
CID 103147262
3-(2,2-Difluoroethoxy)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-one
CID 103147299
1-[1-[2-(Dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214384
1-(4-Methoxy-1-methylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214413
1-(1-Ethyl-4-methoxypyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214416
1-(4-Methoxy-1-propylpyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214421
3,3,3-Trifluoro-1-(4-methoxy-1-methylpyrazol-5-yl)-2-(trifluoromethyl)propan-1-one
CID 103311593

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-one?
The IUPAC name of 2-ethoxy-2-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-one (CID 114642687) is 2-ethoxy-2-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-one.
What is the SMILES notation for 2-ethoxy-2-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-one?
The canonical SMILES for 2-ethoxy-2-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-one is CCOC(CC)(CC)C(=O)c1c(OC)cnn1C(C)C.
What is the InChIKey of 2-ethoxy-2-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-one?
The InChIKey is QAHJSWOCWXQBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-7-15(8-2,20-9-3)14(18)13-12(19-6)10-16-17(13)11(4)5/h10-11H,7-9H2,1-6H3.
What are the key properties of 2-ethoxy-2-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-one?
2-ethoxy-2-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-one has a molecular weight of 282.38 g/mol, XLogP of 3.25, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-one is sourced from PubChem (CID 114642687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).