2-ethoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol

C11H20N2O2 — CID 116752121

IUPAC2-ethoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
SMILESCCOC(C)(CC)C(O)c1cnn(C)c1
InChIInChI=1S/C11H20N2O2/c1-5-11(3,15-6-2)10(14)9-7-12-13(4)8-9/h7-8,10,14H,5-6H2,1-4H3
InChIKeyBBIIFMOLYINDMJ-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.66
Rot. Bonds5

About 2-ethoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol

2-ethoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol (PubChem CID 116752121) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-ethoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol.

Molecular Properties

Compound Name2-ethoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
PubChem CID116752121
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-ethoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
SMILESCCOC(C)(CC)C(O)c1cnn(C)c1
InChIInChI=1S/C11H20N2O2/c1-5-11(3,15-6-2)10(14)9-7-12-13(4)8-9/h7-8,10,14H,5-6H2,1-4H3
InChIKeyBBIIFMOLYINDMJ-UHFFFAOYSA-N
XLogP1.66
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine
CID 116758712
2-ethoxy-2-methyl-1-(3-methyltriazol-4-yl)butan-1-ol
CID 114686813
(1R)-2,2,2-trichloro-1-(1-methylpyrazol-4-yl)ethanol
CID 95969833
2-ethoxy-2-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol
CID 116752175
2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol
CID 61088216
2-ethoxy-2-methyl-1-(5-propan-2-yloxy-3-pyridinyl)butan-1-ol
CID 116752280
2-(azepan-1-yl)-2-methyl-1-(1-methylpyrazol-4-yl)propan-1-ol
CID 79051966
1-(4-cyclopropyloxyphenyl)-2-ethoxy-2-methylbutan-1-ol
CID 114519162
4-ethoxy-4-methyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-3-amine
CID 103012413
2-ethoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-methylbutan-1-ol
CID 114645742
2-amino-N-(3-methylpentan-3-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 106328550
ethyl (2S)-2-amino-2-(1-methylpyrazol-4-yl)acetate
CID 93311142

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol?
The IUPAC name of 2-ethoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol (CID 116752121) is 2-ethoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol.
What is the SMILES notation for 2-ethoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol?
The canonical SMILES for 2-ethoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol is CCOC(C)(CC)C(O)c1cnn(C)c1.
What is the InChIKey of 2-ethoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol?
The InChIKey is BBIIFMOLYINDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-11(3,15-6-2)10(14)9-7-12-13(4)8-9/h7-8,10,14H,5-6H2,1-4H3.
What are the key properties of 2-ethoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol?
2-ethoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol has a molecular weight of 212.29 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-1-ol is sourced from PubChem (CID 116752121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).