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

C12H20N2O3 — CID 114642639

IUPAC2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one
SMILESCCOC(C)(C)C(=O)c1c(OC)cnn1CC
InChIInChI=1S/C12H20N2O3/c1-6-14-10(9(16-5)8-13-14)11(15)12(3,4)17-7-2/h8H,6-7H2,1-5H3
InChIKeyRPSREMPBYZQOOV-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.91
Rot. Bonds6

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

2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one (PubChem CID 114642639) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one
PubChem CID114642639
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one
SMILESCCOC(C)(C)C(=O)c1c(OC)cnn1CC
InChIInChI=1S/C12H20N2O3/c1-6-14-10(9(16-5)8-13-14)11(15)12(3,4)17-7-2/h8H,6-7H2,1-5H3
InChIKeyRPSREMPBYZQOOV-UHFFFAOYSA-N
XLogP1.91
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one
CID 114668718
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methyl-2-piperidin-1-ylbutan-1-one
CID 114641168
2-(tert-butylamino)-1-(1-ethyl-4-methoxypyrazol-5-yl)ethanone
CID 114670105
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one
CID 114640294
3-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-4,4-dimethylpentan-1-one
CID 114671046
1-(4-bromo-1-propylpyrazol-5-yl)-2-ethoxy-2-methylpropan-1-one
CID 114642631
3-ethyl-1-(1-ethyl-4-methoxypyrazol-5-yl)pent-2-en-1-one
CID 103458666
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103214416
2-amino-3,3,3-trifluoro-1-(4-methoxy-1-propylpyrazol-5-yl)-2-methylpropan-1-one
CID 114670313
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylpropan-1-one
CID 114641358
1-(4-bromo-1-methylpyrazol-5-yl)-2-ethoxy-2-methylpropan-1-one
CID 114642637
2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-ol
CID 114633553

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one?
The IUPAC name of 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one (CID 114642639) is 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one is CCOC(C)(C)C(=O)c1c(OC)cnn1CC.
What is the InChIKey of 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one?
The InChIKey is RPSREMPBYZQOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-6-14-10(9(16-5)8-13-14)11(15)12(3,4)17-7-2/h8H,6-7H2,1-5H3.
What are the key properties of 2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one?
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one has a molecular weight of 240.30 g/mol, XLogP of 1.91, 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)-2-methylpropan-1-one is sourced from PubChem (CID 114642639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).