4-bromo-1-(2-methoxyethyl)-3,5-dimethylpyrazole

C8H13BrN2O — CID 62129265

IUPAC4-bromo-1-(2-methoxyethyl)-3,5-dimethylpyrazole
SMILESCOCCn1nc(C)c(Br)c1C
InChIInChI=1S/C8H13BrN2O/c1-6-8(9)7(2)11(10-6)4-5-12-3/h4-5H2,1-3H3
InChIKeyNARHZUXBMVAAAP-UHFFFAOYSA-N
MW233.11 g/mol
LogP1.91
Rot. Bonds3

About 4-bromo-1-(2-methoxyethyl)-3,5-dimethylpyrazole

4-bromo-1-(2-methoxyethyl)-3,5-dimethylpyrazole (PubChem CID 62129265) has the molecular formula C8H13BrN2O and a molecular weight of 233.11 g/mol. Its IUPAC name is 4-bromo-1-(2-methoxyethyl)-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-bromo-1-(2-methoxyethyl)-3,5-dimethylpyrazole
PubChem CID62129265
Molecular FormulaC8H13BrN2O
Molecular Weight233.11 g/mol
Exact Mass232.02
IUPAC Name4-bromo-1-(2-methoxyethyl)-3,5-dimethylpyrazole
SMILESCOCCn1nc(C)c(Br)c1C
InChIInChI=1S/C8H13BrN2O/c1-6-8(9)7(2)11(10-6)4-5-12-3/h4-5H2,1-3H3
InChIKeyNARHZUXBMVAAAP-UHFFFAOYSA-N
XLogP1.91
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.11
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-1-(2-methoxyethyl)-3,5-dimethylpyrazole 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 4-bromo-1-(2-methoxyethyl)-3,5-dimethylpyrazole?
The IUPAC name of 4-bromo-1-(2-methoxyethyl)-3,5-dimethylpyrazole (CID 62129265) is 4-bromo-1-(2-methoxyethyl)-3,5-dimethylpyrazole.
What is the SMILES notation for 4-bromo-1-(2-methoxyethyl)-3,5-dimethylpyrazole?
The canonical SMILES for 4-bromo-1-(2-methoxyethyl)-3,5-dimethylpyrazole is COCCn1nc(C)c(Br)c1C.
What is the InChIKey of 4-bromo-1-(2-methoxyethyl)-3,5-dimethylpyrazole?
The InChIKey is NARHZUXBMVAAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrN2O/c1-6-8(9)7(2)11(10-6)4-5-12-3/h4-5H2,1-3H3.
What are the key properties of 4-bromo-1-(2-methoxyethyl)-3,5-dimethylpyrazole?
4-bromo-1-(2-methoxyethyl)-3,5-dimethylpyrazole has a molecular weight of 233.11 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-methoxyethyl)-3,5-dimethylpyrazole is sourced from PubChem (CID 62129265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).