4-bromo-3,5-dimethoxy-1-methylpyrazole

C6H9BrN2O2 — CID 10421043

IUPAC4-bromo-3,5-dimethoxy-1-methylpyrazole
SMILESCOc1nn(C)c(OC)c1Br
InChIInChI=1S/C6H9BrN2O2/c1-9-6(11-3)4(7)5(8-9)10-2/h1-3H3
InChIKeyIKWNENCEISIFLH-UHFFFAOYSA-N
MW221.05 g/mol
LogP1.20
Rot. Bonds2

About 4-bromo-3,5-dimethoxy-1-methylpyrazole

4-bromo-3,5-dimethoxy-1-methylpyrazole (PubChem CID 10421043) has the molecular formula C6H9BrN2O2 and a molecular weight of 221.05 g/mol. Its IUPAC name is 4-bromo-3,5-dimethoxy-1-methylpyrazole.

Molecular Properties

Compound Name4-bromo-3,5-dimethoxy-1-methylpyrazole
PubChem CID10421043
Molecular FormulaC6H9BrN2O2
Molecular Weight221.05 g/mol
Exact Mass219.98
IUPAC Name4-bromo-3,5-dimethoxy-1-methylpyrazole
SMILESCOc1nn(C)c(OC)c1Br
InChIInChI=1S/C6H9BrN2O2/c1-9-6(11-3)4(7)5(8-9)10-2/h1-3H3
InChIKeyIKWNENCEISIFLH-UHFFFAOYSA-N
XLogP1.20
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.05
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-bromo-3,5-dimethoxy-1-methylpyrazole 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-3,5-dimethoxy-1-methylpyrazole?
The IUPAC name of 4-bromo-3,5-dimethoxy-1-methylpyrazole (CID 10421043) is 4-bromo-3,5-dimethoxy-1-methylpyrazole.
What is the SMILES notation for 4-bromo-3,5-dimethoxy-1-methylpyrazole?
The canonical SMILES for 4-bromo-3,5-dimethoxy-1-methylpyrazole is COc1nn(C)c(OC)c1Br.
What is the InChIKey of 4-bromo-3,5-dimethoxy-1-methylpyrazole?
The InChIKey is IKWNENCEISIFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN2O2/c1-9-6(11-3)4(7)5(8-9)10-2/h1-3H3.
What are the key properties of 4-bromo-3,5-dimethoxy-1-methylpyrazole?
4-bromo-3,5-dimethoxy-1-methylpyrazole has a molecular weight of 221.05 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-dimethoxy-1-methylpyrazole is sourced from PubChem (CID 10421043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).