3-ethoxy-1-(1-ethylpyrazol-4-yl)pentan-2-ol

C12H22N2O2 — CID 116711224

IUPAC3-ethoxy-1-(1-ethylpyrazol-4-yl)pentan-2-ol
SMILESCCOC(CC)C(O)Cc1cnn(CC)c1
InChIInChI=1S/C12H22N2O2/c1-4-12(16-6-3)11(15)7-10-8-13-14(5-2)9-10/h8-9,11-12,15H,4-7H2,1-3H3
InChIKeyOTBQFWKNZXQKGK-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.62
Rot. Bonds7

About 3-ethoxy-1-(1-ethylpyrazol-4-yl)pentan-2-ol

3-ethoxy-1-(1-ethylpyrazol-4-yl)pentan-2-ol (PubChem CID 116711224) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-ethoxy-1-(1-ethylpyrazol-4-yl)pentan-2-ol.

Molecular Properties

Compound Name3-ethoxy-1-(1-ethylpyrazol-4-yl)pentan-2-ol
PubChem CID116711224
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-ethoxy-1-(1-ethylpyrazol-4-yl)pentan-2-ol
SMILESCCOC(CC)C(O)Cc1cnn(CC)c1
InChIInChI=1S/C12H22N2O2/c1-4-12(16-6-3)11(15)7-10-8-13-14(5-2)9-10/h8-9,11-12,15H,4-7H2,1-3H3
InChIKeyOTBQFWKNZXQKGK-UHFFFAOYSA-N
XLogP1.62
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-1-(1-ethylpyrazol-4-yl)hexane-2,3-diol
CID 103459765
1-(1-ethylpyrazol-4-yl)-3-phenylpentan-2-ol
CID 115780635
[1,1-diethoxy-3-(1-ethylpyrazol-4-yl)propan-2-yl]hydrazine
CID 105246299
2-[(1-ethylpyrazol-4-yl)methyl]butan-1-amine
CID 62505904
1-(1-ethylpyrazol-4-yl)-3,3-dimethylpentan-2-ol
CID 115780671
3-ethoxy-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 64541540
2-amino-3-(1-ethylpyrazol-4-yl)propan-1-ol
CID 64571799
1-(1-ethylpyrazol-4-yl)-4-propoxybutan-2-ol
CID 105082825
1-(1-ethylpyrazol-4-yl)-3-(4-methoxyphenyl)propan-2-ol
CID 62126980
1-(3-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 62127843
2-(1-ethylpyrazol-4-yl)-1-(3-methylimidazol-4-yl)ethanol
CID 66116928
2-(1-ethylpyrazol-4-yl)-1-(furan-2-yl)ethanol
CID 62717465

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(1-ethylpyrazol-4-yl)pentan-2-ol?
The IUPAC name of 3-ethoxy-1-(1-ethylpyrazol-4-yl)pentan-2-ol (CID 116711224) is 3-ethoxy-1-(1-ethylpyrazol-4-yl)pentan-2-ol.
What is the SMILES notation for 3-ethoxy-1-(1-ethylpyrazol-4-yl)pentan-2-ol?
The canonical SMILES for 3-ethoxy-1-(1-ethylpyrazol-4-yl)pentan-2-ol is CCOC(CC)C(O)Cc1cnn(CC)c1.
What is the InChIKey of 3-ethoxy-1-(1-ethylpyrazol-4-yl)pentan-2-ol?
The InChIKey is OTBQFWKNZXQKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-12(16-6-3)11(15)7-10-8-13-14(5-2)9-10/h8-9,11-12,15H,4-7H2,1-3H3.
What are the key properties of 3-ethoxy-1-(1-ethylpyrazol-4-yl)pentan-2-ol?
3-ethoxy-1-(1-ethylpyrazol-4-yl)pentan-2-ol has a molecular weight of 226.32 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(1-ethylpyrazol-4-yl)pentan-2-ol is sourced from PubChem (CID 116711224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).