4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-ol

C12H22N2O2 — CID 105107607

IUPAC4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-ol
SMILESCCOCCC(O)Cc1cc(CC)nn1C
InChIInChI=1S/C12H22N2O2/c1-4-10-8-11(14(3)13-10)9-12(15)6-7-16-5-2/h8,12,15H,4-7,9H2,1-3H3
InChIKeyIGVLCKQMKGPUIS-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.31
Rot. Bonds7

About 4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-ol

4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-ol (PubChem CID 105107607) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-ol
PubChem CID105107607
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-ol
SMILESCCOCCC(O)Cc1cc(CC)nn1C
InChIInChI=1S/C12H22N2O2/c1-4-10-8-11(14(3)13-10)9-12(15)6-7-16-5-2/h8,12,15H,4-7,9H2,1-3H3
InChIKeyIGVLCKQMKGPUIS-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)-N-methylbutan-2-amine
CID 105160159
1-(3-ethyl-1-methylpyrazol-5-yl)decan-2-ol
CID 115813546
1-(3-ethyl-1-methylpyrazol-5-yl)-4,6,6-trimethylheptan-2-ol
CID 115813553
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methoxy-3-oxopropanoic acid
CID 103973244
1-cyclohexyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxypropan-2-ol
CID 116756479
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713
3-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-amine
CID 116726711
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxyhexan-2-amine
CID 116718430
1-(4-aminophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 106695553
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine
CID 79405999
4-ethoxy-1-(4-ethylphenyl)butan-2-ol
CID 105080275
1-(2-bicyclo[2.2.1]heptanyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ol
CID 115813550

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-ol?
The IUPAC name of 4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-ol (CID 105107607) is 4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-ol.
What is the SMILES notation for 4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-ol?
The canonical SMILES for 4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-ol is CCOCCC(O)Cc1cc(CC)nn1C.
What is the InChIKey of 4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-ol?
The InChIKey is IGVLCKQMKGPUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-10-8-11(14(3)13-10)9-12(15)6-7-16-5-2/h8,12,15H,4-7,9H2,1-3H3.
What are the key properties of 4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-ol?
4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-ol has a molecular weight of 226.32 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-ol is sourced from PubChem (CID 105107607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).