2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one

C11H18N2O3 — CID 114640294

IUPAC2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one
SMILESCCOC(C)C(=O)c1c(OC)cnn1CC
InChIInChI=1S/C11H18N2O3/c1-5-13-10(9(15-4)7-12-13)11(14)8(3)16-6-2/h7-8H,5-6H2,1-4H3
InChIKeySZWNBJKQVZQZJR-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.52
Rot. Bonds6

About 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one

2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one (PubChem CID 114640294) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one
PubChem CID114640294
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one
SMILESCCOC(C)C(=O)c1c(OC)cnn1CC
InChIInChI=1S/C11H18N2O3/c1-5-13-10(9(15-4)7-12-13)11(14)8(3)16-6-2/h7-8H,5-6H2,1-4H3
InChIKeySZWNBJKQVZQZJR-UHFFFAOYSA-N
XLogP1.52
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxypropan-1-one
CID 114640288
2-ethoxy-1-(4-methoxy-1-propylpyrazol-5-yl)pentan-1-one
CID 114642520
2,2-diethoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114641410
2-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one
CID 114668718
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one
CID 114642639
3-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)pent-2-en-1-one
CID 103458666
3-amino-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one
CID 114668938
2-ethoxy-1-(2-ethylpyrazol-3-yl)propan-1-one
CID 64540904
3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-one
CID 114671018
3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4-dimethylpentan-1-one
CID 114671046
(1-ethyl-4-methoxypyrazol-5-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 105133140
2-(tert-butylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114670105

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one?
The IUPAC name of 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one (CID 114640294) is 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one.
What is the SMILES notation for 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one?
The canonical SMILES for 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one is CCOC(C)C(=O)c1c(OC)cnn1CC.
What is the InChIKey of 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one?
The InChIKey is SZWNBJKQVZQZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-5-13-10(9(15-4)7-12-13)11(14)8(3)16-6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one?
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one has a molecular weight of 226.28 g/mol, XLogP of 1.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one is sourced from PubChem (CID 114640294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).