2-[(1R)-1-(4-bromo-1-methylpyrazol-5-yl)ethoxy]ethanol

C8H13BrN2O2 — CID 167129375

IUPAC2-[(1R)-1-(4-bromo-1-methylpyrazol-5-yl)ethoxy]ethanol
SMILESC[C@@H](OCCO)c1c(Br)cnn1C
InChIInChI=1S/C8H13BrN2O2/c1-6(13-4-3-12)8-7(9)5-10-11(8)2/h5-6,12H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyAIDDJJASUSYZKT-ZCFIWIBFSA-N
MW249.11 g/mol
LogP1.25
Rot. Bonds4

About 2-[(1R)-1-(4-bromo-1-methylpyrazol-5-yl)ethoxy]ethanol

2-[(1R)-1-(4-bromo-1-methylpyrazol-5-yl)ethoxy]ethanol (PubChem CID 167129375) has the molecular formula C8H13BrN2O2 and a molecular weight of 249.11 g/mol. Its IUPAC name is 2-[(1R)-1-(4-bromo-1-methylpyrazol-5-yl)ethoxy]ethanol.

Molecular Properties

Compound Name2-[(1R)-1-(4-bromo-1-methylpyrazol-5-yl)ethoxy]ethanol
PubChem CID167129375
Molecular FormulaC8H13BrN2O2
Molecular Weight249.11 g/mol
Exact Mass248.02
IUPAC Name2-[(1R)-1-(4-bromo-1-methylpyrazol-5-yl)ethoxy]ethanol
SMILESC[C@@H](OCCO)c1c(Br)cnn1C
InChIInChI=1S/C8H13BrN2O2/c1-6(13-4-3-12)8-7(9)5-10-11(8)2/h5-6,12H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyAIDDJJASUSYZKT-ZCFIWIBFSA-N
XLogP1.25
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1R)-1-(4-bromo-1-methylpyrazol-5-yl)ethoxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxyethanol
CID 114643180
4-(4-bromo-1-methylpyrazol-5-yl)pentan-2-ol
CID 114665060
1-(4-bromo-1-methylpyrazol-5-yl)-2-methoxy-3-methylbutan-1-ol
CID 114645635
3-(4-bromo-1-methylpyrazol-5-yl)oxypropan-1-ol
CID 164538390
4-(4-bromo-1-methylpyrazol-5-yl)-4-phenylbutan-1-ol
CID 67958093
3-(4-bromo-1-methylpyrazol-5-yl)-N-(2-methoxyethyl)butan-2-amine
CID 114663035
1-(4-bromo-1-methylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648705
1-(4-bromo-1-methylpyrazol-5-yl)-4-methoxypentan-1-amine
CID 105189862
(3R)-3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide
CID 130586349
3-amino-3-(4-bromo-1-methylpyrazol-5-yl)propanamide
CID 130586350
[1-(4-bromo-1-methylpyrazol-5-yl)-2,2-diethoxyethyl]hydrazine
CID 105246443
1-(4-bromo-1-methylpyrazol-5-yl)-2-methylbutane-1,2-diol
CID 103448738

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-(4-bromo-1-methylpyrazol-5-yl)ethoxy]ethanol?
The IUPAC name of 2-[(1R)-1-(4-bromo-1-methylpyrazol-5-yl)ethoxy]ethanol (CID 167129375) is 2-[(1R)-1-(4-bromo-1-methylpyrazol-5-yl)ethoxy]ethanol.
What is the SMILES notation for 2-[(1R)-1-(4-bromo-1-methylpyrazol-5-yl)ethoxy]ethanol?
The canonical SMILES for 2-[(1R)-1-(4-bromo-1-methylpyrazol-5-yl)ethoxy]ethanol is C[C@@H](OCCO)c1c(Br)cnn1C.
What is the InChIKey of 2-[(1R)-1-(4-bromo-1-methylpyrazol-5-yl)ethoxy]ethanol?
The InChIKey is AIDDJJASUSYZKT-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13BrN2O2/c1-6(13-4-3-12)8-7(9)5-10-11(8)2/h5-6,12H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of 2-[(1R)-1-(4-bromo-1-methylpyrazol-5-yl)ethoxy]ethanol?
2-[(1R)-1-(4-bromo-1-methylpyrazol-5-yl)ethoxy]ethanol has a molecular weight of 249.11 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-(4-bromo-1-methylpyrazol-5-yl)ethoxy]ethanol is sourced from PubChem (CID 167129375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).