3,4-dibromo-1-methylpyrazole

C4H4Br2N2 — CID 13185126

IUPAC3,4-dibromo-1-methylpyrazole
SMILESCn1cc(Br)c(Br)n1
InChIInChI=1S/C4H4Br2N2/c1-8-2-3(5)4(6)7-8/h2H,1H3
InChIKeyDIFVKLRTMZFVBS-UHFFFAOYSA-N
MW239.90 g/mol
LogP1.95
Rot. Bonds

About 3,4-dibromo-1-methylpyrazole

3,4-dibromo-1-methylpyrazole (PubChem CID 13185126) has the molecular formula C4H4Br2N2 and a molecular weight of 239.90 g/mol. Its IUPAC name is 3,4-dibromo-1-methylpyrazole.

Molecular Properties

Compound Name3,4-dibromo-1-methylpyrazole
PubChem CID13185126
Molecular FormulaC4H4Br2N2
Molecular Weight239.90 g/mol
Exact Mass237.87
IUPAC Name3,4-dibromo-1-methylpyrazole
SMILESCn1cc(Br)c(Br)n1
InChIInChI=1S/C4H4Br2N2/c1-8-2-3(5)4(6)7-8/h2H,1H3
InChIKeyDIFVKLRTMZFVBS-UHFFFAOYSA-N
XLogP1.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.90
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dibromo-1-methylpyrazole?
The IUPAC name of 3,4-dibromo-1-methylpyrazole (CID 13185126) is 3,4-dibromo-1-methylpyrazole.
What is the SMILES notation for 3,4-dibromo-1-methylpyrazole?
The canonical SMILES for 3,4-dibromo-1-methylpyrazole is Cn1cc(Br)c(Br)n1.
What is the InChIKey of 3,4-dibromo-1-methylpyrazole?
The InChIKey is DIFVKLRTMZFVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Br2N2/c1-8-2-3(5)4(6)7-8/h2H,1H3.
What are the key properties of 3,4-dibromo-1-methylpyrazole?
3,4-dibromo-1-methylpyrazole has a molecular weight of 239.90 g/mol, XLogP of 1.95, 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-methylpyrazole is sourced from PubChem (CID 13185126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).