3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol

C11H20N2O3 — CID 103027713

IUPAC3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol
SMILESCOc1cnn(C)c1C(O)CC(C)(C)OC
InChIInChI=1S/C11H20N2O3/c1-11(2,16-5)6-8(14)10-9(15-4)7-12-13(10)3/h7-8,14H,6H2,1-5H3
InChIKeyLYLPACQQUVQUNP-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.28
Rot. Bonds5

About 3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol

3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol (PubChem CID 103027713) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol
PubChem CID103027713
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol
SMILESCOc1cnn(C)c1C(O)CC(C)(C)OC
InChIInChI=1S/C11H20N2O3/c1-11(2,16-5)6-8(14)10-9(15-4)7-12-13(10)3/h7-8,14H,6H2,1-5H3
InChIKeyLYLPACQQUVQUNP-UHFFFAOYSA-N
XLogP1.28
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-3-methoxy-3-methylbutan-1-ol
CID 103027699
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114643178
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-ol
CID 114643133
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butane-1,2-diol
CID 103449219
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol
CID 114665828
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol
CID 114635721
1-(4-methoxy-1-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol
CID 105129939
2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114645393
1-(4-methoxy-1-methylpyrazol-5-yl)-3-pyridin-4-ylpropan-1-ol
CID 105129886
1-(4-methoxy-1-methylpyrazol-5-yl)-3-phenylbutan-1-ol
CID 114635516
1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine
CID 105047205
1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-2-ylethanol
CID 105129959

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol?
The IUPAC name of 3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol (CID 103027713) is 3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol.
What is the SMILES notation for 3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol?
The canonical SMILES for 3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol is COc1cnn(C)c1C(O)CC(C)(C)OC.
What is the InChIKey of 3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol?
The InChIKey is LYLPACQQUVQUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(2,16-5)6-8(14)10-9(15-4)7-12-13(10)3/h7-8,14H,6H2,1-5H3.
What are the key properties of 3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol?
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol has a molecular weight of 228.29 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 103027713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).