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

C9H16N2O3 — CID 114643133

IUPAC3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-ol
SMILESCOCCC(O)c1c(OC)cnn1C
InChIInChI=1S/C9H16N2O3/c1-11-9(7(12)4-5-13-2)8(14-3)6-10-11/h6-7,12H,4-5H2,1-3H3
InChIKeyLCFLIBSKOLQAGZ-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.50
Rot. Bonds5

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

3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-ol (PubChem CID 114643133) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-ol
PubChem CID114643133
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-ol
SMILESCOCCC(O)c1c(OC)cnn1C
InChIInChI=1S/C9H16N2O3/c1-11-9(7(12)4-5-13-2)8(14-3)6-10-11/h6-7,12H,4-5H2,1-3H3
InChIKeyLCFLIBSKOLQAGZ-UHFFFAOYSA-N
XLogP0.50
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114643178
1-(4-methoxy-1-methylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol
CID 105129939
1-(4-methoxy-1-methylpyrazol-5-yl)-3-pyridin-4-ylpropan-1-ol
CID 105129886
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol
CID 103027713
1-(4-methoxy-1-methylpyrazol-5-yl)-3-phenylbutan-1-ol
CID 114635516
4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylbutan-1-amine
CID 114653379
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol
CID 114665828
1-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-4-methoxybutan-1-ol
CID 114643797
1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-2-ylethanol
CID 105129959
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-phenoxypropan-1-ol
CID 114642899
1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-1-ylethanol
CID 105130023
2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114645393

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-ol?
The IUPAC name of 3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-ol (CID 114643133) is 3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-ol.
What is the SMILES notation for 3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-ol?
The canonical SMILES for 3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-ol is COCCC(O)c1c(OC)cnn1C.
What is the InChIKey of 3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-ol?
The InChIKey is LCFLIBSKOLQAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-11-9(7(12)4-5-13-2)8(14-3)6-10-11/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-ol?
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-ol has a molecular weight of 200.24 g/mol, XLogP of 0.50, 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)propan-1-ol is sourced from PubChem (CID 114643133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).