2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol

C8H14N2O3 — CID 114643178

IUPAC2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
SMILESCOCC(O)c1c(OC)cnn1C
InChIInChI=1S/C8H14N2O3/c1-10-8(6(11)5-12-2)7(13-3)4-9-10/h4,6,11H,5H2,1-3H3
InChIKeyKPMVNKGWESDLLN-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.11
Rot. Bonds4

About 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol

2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol (PubChem CID 114643178) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
PubChem CID114643178
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
SMILESCOCC(O)c1c(OC)cnn1C
InChIInChI=1S/C8H14N2O3/c1-10-8(6(11)5-12-2)7(13-3)4-9-10/h4,6,11H,5H2,1-3H3
InChIKeyKPMVNKGWESDLLN-UHFFFAOYSA-N
XLogP0.11
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-ol
CID 114643133
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-ol
CID 103027713
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol
CID 114643180
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(propylamino)ethanol
CID 114665828
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-phenylbutan-1-ol
CID 114635516
1-(4-methoxy-1-methylpyrazol-5-yl)-3-pyridin-4-ylpropan-1-ol
CID 105129886
2-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)butane-1,2-diol
CID 103449219
1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-2-ylethanol
CID 105129959
1-(4-methoxy-1-methylpyrazol-5-yl)-2-naphthalen-1-ylethanol
CID 105130023
ethyl 2-hydroxy-2-(4-methoxy-1-methylpyrazol-5-yl)acetate
CID 114636536

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol?
The IUPAC name of 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol (CID 114643178) is 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol.
What is the SMILES notation for 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol?
The canonical SMILES for 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol is COCC(O)c1c(OC)cnn1C.
What is the InChIKey of 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol?
The InChIKey is KPMVNKGWESDLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-10-8(6(11)5-12-2)7(13-3)4-9-10/h4,6,11H,5H2,1-3H3.
What are the key properties of 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol?
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol has a molecular weight of 186.21 g/mol, XLogP of 0.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol is sourced from PubChem (CID 114643178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).