4,5-dibromo-3-(methoxymethyl)-1-methylpyrazole

C6H8Br2N2O — CID 171338321

IUPAC4,5-dibromo-3-(methoxymethyl)-1-methylpyrazole
SMILESCOCc1nn(C)c(Br)c1Br
InChIInChI=1S/C6H8Br2N2O/c1-10-6(8)5(7)4(9-10)3-11-2/h3H2,1-2H3
InChIKeyBUQCQXDLFGDUPG-UHFFFAOYSA-N
MW283.95 g/mol
LogP2.09
Rot. Bonds2

About 4,5-dibromo-3-(methoxymethyl)-1-methylpyrazole

4,5-dibromo-3-(methoxymethyl)-1-methylpyrazole (PubChem CID 171338321) has the molecular formula C6H8Br2N2O and a molecular weight of 283.95 g/mol. Its IUPAC name is 4,5-dibromo-3-(methoxymethyl)-1-methylpyrazole.

Molecular Properties

Compound Name4,5-dibromo-3-(methoxymethyl)-1-methylpyrazole
PubChem CID171338321
Molecular FormulaC6H8Br2N2O
Molecular Weight283.95 g/mol
Exact Mass281.90
IUPAC Name4,5-dibromo-3-(methoxymethyl)-1-methylpyrazole
SMILESCOCc1nn(C)c(Br)c1Br
InChIInChI=1S/C6H8Br2N2O/c1-10-6(8)5(7)4(9-10)3-11-2/h3H2,1-2H3
InChIKeyBUQCQXDLFGDUPG-UHFFFAOYSA-N
XLogP2.09
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.95
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,5-dibromo-3-(methoxymethyl)-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 4,5-dibromo-3-(methoxymethyl)-1-methylpyrazole?
The IUPAC name of 4,5-dibromo-3-(methoxymethyl)-1-methylpyrazole (CID 171338321) is 4,5-dibromo-3-(methoxymethyl)-1-methylpyrazole.
What is the SMILES notation for 4,5-dibromo-3-(methoxymethyl)-1-methylpyrazole?
The canonical SMILES for 4,5-dibromo-3-(methoxymethyl)-1-methylpyrazole is COCc1nn(C)c(Br)c1Br.
What is the InChIKey of 4,5-dibromo-3-(methoxymethyl)-1-methylpyrazole?
The InChIKey is BUQCQXDLFGDUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8Br2N2O/c1-10-6(8)5(7)4(9-10)3-11-2/h3H2,1-2H3.
What are the key properties of 4,5-dibromo-3-(methoxymethyl)-1-methylpyrazole?
4,5-dibromo-3-(methoxymethyl)-1-methylpyrazole has a molecular weight of 283.95 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-3-(methoxymethyl)-1-methylpyrazole is sourced from PubChem (CID 171338321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).