2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanol

C7H11BrN2O — CID 19619764

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanol
SMILESCc1nn(CCO)c(C)c1Br
InChIInChI=1S/C7H11BrN2O/c1-5-7(8)6(2)10(9-5)3-4-11/h11H,3-4H2,1-2H3
InChIKeyCUUAPMBWZYSQSB-UHFFFAOYSA-N
MW219.08 g/mol
LogP1.25
Rot. Bonds2

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanol

2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanol (PubChem CID 19619764) has the molecular formula C7H11BrN2O and a molecular weight of 219.08 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanol
PubChem CID19619764
Molecular FormulaC7H11BrN2O
Molecular Weight219.08 g/mol
Exact Mass218.01
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanol
SMILESCc1nn(CCO)c(C)c1Br
InChIInChI=1S/C7H11BrN2O/c1-5-7(8)6(2)10(9-5)3-4-11/h11H,3-4H2,1-2H3
InChIKeyCUUAPMBWZYSQSB-UHFFFAOYSA-N
XLogP1.25
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanol?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanol (CID 19619764) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanol?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanol is Cc1nn(CCO)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanol?
The InChIKey is CUUAPMBWZYSQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O/c1-5-7(8)6(2)10(9-5)3-4-11/h11H,3-4H2,1-2H3.
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanol?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanol has a molecular weight of 219.08 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanol is sourced from PubChem (CID 19619764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).