4,5-dibromo-1,3-dimethylpyrazole

C5H6Br2N2 — CID 5142908

IUPAC4,5-dibromo-1,3-dimethylpyrazole
SMILESCc1nn(C)c(Br)c1Br
InChIInChI=1S/C5H6Br2N2/c1-3-4(6)5(7)9(2)8-3/h1-2H3
InChIKeyNMHDLCOEAHRTEK-UHFFFAOYSA-N
MW253.92 g/mol
LogP2.25
Rot. Bonds

About 4,5-dibromo-1,3-dimethylpyrazole

4,5-dibromo-1,3-dimethylpyrazole (PubChem CID 5142908) has the molecular formula C5H6Br2N2 and a molecular weight of 253.92 g/mol. Its IUPAC name is 4,5-dibromo-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4,5-dibromo-1,3-dimethylpyrazole
PubChem CID5142908
Molecular FormulaC5H6Br2N2
Molecular Weight253.92 g/mol
Exact Mass251.89
IUPAC Name4,5-dibromo-1,3-dimethylpyrazole
SMILESCc1nn(C)c(Br)c1Br
InChIInChI=1S/C5H6Br2N2/c1-3-4(6)5(7)9(2)8-3/h1-2H3
InChIKeyNMHDLCOEAHRTEK-UHFFFAOYSA-N
XLogP2.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.92
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-1,3-dimethylpyrazole?
The IUPAC name of 4,5-dibromo-1,3-dimethylpyrazole (CID 5142908) is 4,5-dibromo-1,3-dimethylpyrazole.
What is the SMILES notation for 4,5-dibromo-1,3-dimethylpyrazole?
The canonical SMILES for 4,5-dibromo-1,3-dimethylpyrazole is Cc1nn(C)c(Br)c1Br.
What is the InChIKey of 4,5-dibromo-1,3-dimethylpyrazole?
The InChIKey is NMHDLCOEAHRTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Br2N2/c1-3-4(6)5(7)9(2)8-3/h1-2H3.
What are the key properties of 4,5-dibromo-1,3-dimethylpyrazole?
4,5-dibromo-1,3-dimethylpyrazole has a molecular weight of 253.92 g/mol, XLogP of 2.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-1,3-dimethylpyrazole is sourced from PubChem (CID 5142908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).