2-ethoxy-1-(2-ethylpyrazol-3-yl)propan-1-one

C10H16N2O2 — CID 64540904

IUPAC2-ethoxy-1-(2-ethylpyrazol-3-yl)propan-1-one
SMILESCCOC(C)C(=O)c1ccnn1CC
InChIInChI=1S/C10H16N2O2/c1-4-12-9(6-7-11-12)10(13)8(3)14-5-2/h6-8H,4-5H2,1-3H3
InChIKeyHDXASDWAKVYYCY-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.51
Rot. Bonds5

About 2-ethoxy-1-(2-ethylpyrazol-3-yl)propan-1-one

2-ethoxy-1-(2-ethylpyrazol-3-yl)propan-1-one (PubChem CID 64540904) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-ethoxy-1-(2-ethylpyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name2-ethoxy-1-(2-ethylpyrazol-3-yl)propan-1-one
PubChem CID64540904
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-ethoxy-1-(2-ethylpyrazol-3-yl)propan-1-one
SMILESCCOC(C)C(=O)c1ccnn1CC
InChIInChI=1S/C10H16N2O2/c1-4-12-9(6-7-11-12)10(13)8(3)14-5-2/h6-8H,4-5H2,1-3H3
InChIKeyHDXASDWAKVYYCY-UHFFFAOYSA-N
XLogP1.51
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(2-ethylpyrazol-3-yl)-3,3-dimethylbutan-1-one
CID 116611379
2-amino-1-(2-ethylpyrazol-3-yl)pentan-1-one
CID 116554556
2-ethoxy-1-(2-propylpyrazol-3-yl)butan-1-one
CID 116707677
1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxypropan-1-one
CID 114640288
2-ethoxy-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one
CID 114640294
2-ethyl-N-(3-propan-2-yloxypropyl)pyrazole-3-carboxamide
CID 19475507
2-amino-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116551709
2-hydroxy-1-(2-propylpyrazol-3-yl)propan-1-one
CID 103451384
2-amino-2-ethyl-1-(2-ethylpyrazol-3-yl)butan-1-one
CID 116592620
2-ethyl-1-(2-ethylpyrazol-3-yl)-2-hydroxybutan-1-one
CID 103447067
1-(2-ethylpyrazol-3-yl)-3-methylsulfanylpropan-1-one
CID 105100320
(3,4-diethoxyphenyl)-(2-ethylpyrazol-3-yl)methanone
CID 114972489

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(2-ethylpyrazol-3-yl)propan-1-one?
The IUPAC name of 2-ethoxy-1-(2-ethylpyrazol-3-yl)propan-1-one (CID 64540904) is 2-ethoxy-1-(2-ethylpyrazol-3-yl)propan-1-one.
What is the SMILES notation for 2-ethoxy-1-(2-ethylpyrazol-3-yl)propan-1-one?
The canonical SMILES for 2-ethoxy-1-(2-ethylpyrazol-3-yl)propan-1-one is CCOC(C)C(=O)c1ccnn1CC.
What is the InChIKey of 2-ethoxy-1-(2-ethylpyrazol-3-yl)propan-1-one?
The InChIKey is HDXASDWAKVYYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-12-9(6-7-11-12)10(13)8(3)14-5-2/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-ethoxy-1-(2-ethylpyrazol-3-yl)propan-1-one?
2-ethoxy-1-(2-ethylpyrazol-3-yl)propan-1-one has a molecular weight of 196.25 g/mol, XLogP of 1.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(2-ethylpyrazol-3-yl)propan-1-one is sourced from PubChem (CID 64540904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).