1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol

C7H11BrN2O2 — CID 114643180

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol
SMILESCOCC(O)c1c(Br)cnn1C
InChIInChI=1S/C7H11BrN2O2/c1-10-7(5(8)3-9-10)6(11)4-12-2/h3,6,11H,4H2,1-2H3
InChIKeyOGLRKXCKICBDSM-UHFFFAOYSA-N
MW235.08 g/mol
LogP0.86
Rot. Bonds3

About 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol

1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol (PubChem CID 114643180) has the molecular formula C7H11BrN2O2 and a molecular weight of 235.08 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol
PubChem CID114643180
Molecular FormulaC7H11BrN2O2
Molecular Weight235.08 g/mol
Exact Mass234.00
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol
SMILESCOCC(O)c1c(Br)cnn1C
InChIInChI=1S/C7H11BrN2O2/c1-10-7(5(8)3-9-10)6(11)4-12-2/h3,6,11H,4H2,1-2H3
InChIKeyOGLRKXCKICBDSM-UHFFFAOYSA-N
XLogP0.86
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.08
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114643178
4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol
CID 114665060
1-(4-bromo-1-methylpyrazol-5-yl)-3-ethylsulfanylpropan-1-ol
CID 114638589
2-[(1R)-1-(4-bromo-1-methylpyrazol-5-yl)ethoxy]ethanol
CID 167129375
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-ol
CID 114645635
1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclopropylamino)ethanol
CID 114665859
3-(4-bromo-1-methylpyrazol-5-yl)-N-(2-methoxyethyl)butan-2-amine
CID 114663035
2-(1-adamantyl)-1-(4-bromo-1-methylpyrazol-5-yl)ethanol
CID 115839202
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3,3-dimethylbutan-1-ol
CID 114635717
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]pentan-1-ol
CID 114635600
1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-fluorophenyl)ethanol
CID 114643164
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-methoxy-3-methylbutan-1-ol
CID 103027706

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol (CID 114643180) is 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol is COCC(O)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol?
The InChIKey is OGLRKXCKICBDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O2/c1-10-7(5(8)3-9-10)6(11)4-12-2/h3,6,11H,4H2,1-2H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol?
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol has a molecular weight of 235.08 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol is sourced from PubChem (CID 114643180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).