3,4-dibromo-1,5-dimethylpyrazole

C5H6Br2N2 — CID 911172

IUPAC3,4-dibromo-1,5-dimethylpyrazole
SMILESCc1c(Br)c(Br)nn1C
InChIInChI=1S/C5H6Br2N2/c1-3-4(6)5(7)8-9(3)2/h1-2H3
InChIKeyLNWORINWPDQJGF-UHFFFAOYSA-N
MW253.92 g/mol
LogP2.25
Rot. Bonds

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

3,4-dibromo-1,5-dimethylpyrazole (PubChem CID 911172) has the molecular formula C5H6Br2N2 and a molecular weight of 253.92 g/mol. Its IUPAC name is 3,4-dibromo-1,5-dimethylpyrazole.

Molecular Properties

Compound Name3,4-dibromo-1,5-dimethylpyrazole
PubChem CID911172
Molecular FormulaC5H6Br2N2
Molecular Weight253.92 g/mol
Exact Mass251.89
IUPAC Name3,4-dibromo-1,5-dimethylpyrazole
SMILESCc1c(Br)c(Br)nn1C
InChIInChI=1S/C5H6Br2N2/c1-3-4(6)5(7)8-9(3)2/h1-2H3
InChIKeyLNWORINWPDQJGF-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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Related Compounds

4-Bromo-1,3-dimethyl-1H-pyrazole
CID 12615416
4-Bromo-1,3,5-trimethylpyrazole
CID 519181
4-Bromo-1,5-dimethyl-1H-pyrazole
CID 12615417
5-Bromo-1,3-dimethyl-1H-pyrazole
CID 21724031
5-bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole
CID 12035665
3-Bromo-1,5-dimethyl-1H-pyrazole
CID 21724046
4-bromo-5-chloro-1,3-dimethyl-1H-pyrazole
CID 19744223
3-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazole
CID 105486135
4-bromo-3,5-dimethyl-1-propyl-1H-pyrazole
CID 21859703
4-Bromo-1,5-Dimethyl-3-(Trifluoromethyl)-1H-Pyrazole
CID 11859045
5-bromo-1,3-dimethyl-1H-pyrazole-4-carbonitrile
CID 63756823
1H-Pyrazole, 3-bromo-5-methyl-1-(1-methylethyl)-
CID 66509449

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-1,5-dimethylpyrazole?
The IUPAC name of 3,4-dibromo-1,5-dimethylpyrazole (CID 911172) is 3,4-dibromo-1,5-dimethylpyrazole.
What is the SMILES notation for 3,4-dibromo-1,5-dimethylpyrazole?
The canonical SMILES for 3,4-dibromo-1,5-dimethylpyrazole is Cc1c(Br)c(Br)nn1C.
What is the InChIKey of 3,4-dibromo-1,5-dimethylpyrazole?
The InChIKey is LNWORINWPDQJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Br2N2/c1-3-4(6)5(7)8-9(3)2/h1-2H3.
What are the key properties of 3,4-dibromo-1,5-dimethylpyrazole?
3,4-dibromo-1,5-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 3,4-dibromo-1,5-dimethylpyrazole is sourced from PubChem (CID 911172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).