1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol

C11H20N2O2 — CID 79198449

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol
SMILESCOC(C)(C)C(O)Cc1cc(C)nn1C
InChIInChI=1S/C11H20N2O2/c1-8-6-9(13(4)12-8)7-10(14)11(2,3)15-5/h6,10,14H,7H2,1-5H3
InChIKeyJYOQMMOXZWJHLW-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.06
Rot. Bonds4

About 1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol

1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol (PubChem CID 79198449) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol
PubChem CID79198449
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol
SMILESCOC(C)(C)C(O)Cc1cc(C)nn1C
InChIInChI=1S/C11H20N2O2/c1-8-6-9(13(4)12-8)7-10(14)11(2,3)15-5/h6,10,14H,7H2,1-5H3
InChIKeyJYOQMMOXZWJHLW-UHFFFAOYSA-N
XLogP1.06
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol
CID 103027581
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79198502
2-(2,5-dimethylpyrazol-3-yl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanol
CID 114255634
1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312547
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116757879
1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115811450
1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-3-methoxy-N-methylpentan-2-amine
CID 116760786
1-(2,5-dimethylpyrazol-3-yl)-3-methoxybutan-2-amine
CID 79617156
3-methoxy-3-methyl-1-(2-methyltetrazol-5-yl)butan-2-ol
CID 107047970
1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-3-methoxy-N-propylpentan-2-amine
CID 116761345
1-(2,5-dimethylpyrazol-3-yl)-4-(4-methoxyphenyl)butan-2-ol
CID 115811610
2-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83139258

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol (CID 79198449) is 1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol is COC(C)(C)C(O)Cc1cc(C)nn1C.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol?
The InChIKey is JYOQMMOXZWJHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8-6-9(13(4)12-8)7-10(14)11(2,3)15-5/h6,10,14H,7H2,1-5H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol?
1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol has a molecular weight of 212.29 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol is sourced from PubChem (CID 79198449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).