2-ethyl-1-(1-ethylpyrazol-4-yl)butan-1-ol

C11H20N2O — CID 63894691

IUPAC2-ethyl-1-(1-ethylpyrazol-4-yl)butan-1-ol
SMILESCCC(CC)C(O)c1cnn(CC)c1
InChIInChI=1S/C11H20N2O/c1-4-9(5-2)11(14)10-7-12-13(6-3)8-10/h7-9,11,14H,4-6H2,1-3H3
InChIKeyUFNBHDBUCOEJJY-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.37
Rot. Bonds5

About 2-ethyl-1-(1-ethylpyrazol-4-yl)butan-1-ol

2-ethyl-1-(1-ethylpyrazol-4-yl)butan-1-ol (PubChem CID 63894691) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-ethyl-1-(1-ethylpyrazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(1-ethylpyrazol-4-yl)butan-1-ol
PubChem CID63894691
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name2-ethyl-1-(1-ethylpyrazol-4-yl)butan-1-ol
SMILESCCC(CC)C(O)c1cnn(CC)c1
InChIInChI=1S/C11H20N2O/c1-4-9(5-2)11(14)10-7-12-13(6-3)8-10/h7-9,11,14H,4-6H2,1-3H3
InChIKeyUFNBHDBUCOEJJY-UHFFFAOYSA-N
XLogP2.37
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 63895086
1-(1-ethylpyrazol-4-yl)propane-1,2-diol
CID 103452757
2-amino-1-(1-ethylpyrazol-4-yl)butan-1-ol
CID 103570009
2-amino-1-(1-ethylpyrazol-4-yl)ethanol
CID 55264385
2-cyclopropyl-1-(1-ethylpyrazol-4-yl)propan-1-ol
CID 115779051
4-(1-ethylpyrazol-4-yl)-4-hydroxy-3-methylbutanoic acid
CID 103570340
2-[(1-ethylpyrazol-4-yl)-hydroxymethyl]-3-methylbutanoic acid
CID 103570644
1-(1-ethylpyrazol-4-yl)dodecan-1-ol
CID 115778864
2-ethyl-1-(1-ethylpyrazol-4-yl)butane-1,2-diol
CID 103449416
4-ethyl-1-(1-ethylpyrazol-4-yl)hexane-2,3-diol
CID 103459765
(3,5-dimethylphenyl)-(1-ethylpyrazol-4-yl)methanol
CID 63894378
1-(1-ethylpyrazol-4-yl)-2-methylsulfonylethanol
CID 115601039

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1-ethylpyrazol-4-yl)butan-1-ol?
The IUPAC name of 2-ethyl-1-(1-ethylpyrazol-4-yl)butan-1-ol (CID 63894691) is 2-ethyl-1-(1-ethylpyrazol-4-yl)butan-1-ol.
What is the SMILES notation for 2-ethyl-1-(1-ethylpyrazol-4-yl)butan-1-ol?
The canonical SMILES for 2-ethyl-1-(1-ethylpyrazol-4-yl)butan-1-ol is CCC(CC)C(O)c1cnn(CC)c1.
What is the InChIKey of 2-ethyl-1-(1-ethylpyrazol-4-yl)butan-1-ol?
The InChIKey is UFNBHDBUCOEJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-9(5-2)11(14)10-7-12-13(6-3)8-10/h7-9,11,14H,4-6H2,1-3H3.
What are the key properties of 2-ethyl-1-(1-ethylpyrazol-4-yl)butan-1-ol?
2-ethyl-1-(1-ethylpyrazol-4-yl)butan-1-ol has a molecular weight of 196.29 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1-ethylpyrazol-4-yl)butan-1-ol is sourced from PubChem (CID 63894691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).