4,5-dibromo-1H-pyrazole

C3H2Br2N2 — CID 22216

IUPAC4,5-dibromo-1H-pyrazole
SMILESBrc1cn[nH]c1Br
InChIInChI=1S/C3H2Br2N2/c4-2-1-6-7-3(2)5/h1H,(H,6,7)
InChIKeyDFUAIALZXKLUQU-UHFFFAOYSA-N
MW225.87 g/mol
LogP1.93
Rot. Bonds

About 4,5-dibromo-1H-pyrazole

4,5-dibromo-1H-pyrazole (PubChem CID 22216) has the molecular formula C3H2Br2N2 and a molecular weight of 225.87 g/mol. Its IUPAC name is 4,5-dibromo-1H-pyrazole.

Molecular Properties

Compound Name4,5-dibromo-1H-pyrazole
PubChem CID22216
Molecular FormulaC3H2Br2N2
Molecular Weight225.87 g/mol
Exact Mass223.86
IUPAC Name4,5-dibromo-1H-pyrazole
SMILESBrc1cn[nH]c1Br
InChIInChI=1S/C3H2Br2N2/c4-2-1-6-7-3(2)5/h1H,(H,6,7)
InChIKeyDFUAIALZXKLUQU-UHFFFAOYSA-N
XLogP1.93
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.87
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromopyrazole
CID 16375
3-Bromo-4-methyl-1H-pyrazole
CID 21680102
3-bromo-1H-pyrazole
CID 1201443
5-bromo-4-chloro-1H-pyrazole
CID 13013117
4-bromo-3-chloro-1H-pyrazole
CID 13013118
4-bromo-3-iodo-1H-pyrazole
CID 70807072
4-bromo-5-fluoro-1H-pyrazole
CID 84651997
5-bromo-1H-pyrazole-4-carbonitrile
CID 84654264
3-bromo-4-(trifluoromethyl)-1H-pyrazole
CID 84734886
3-bromo-4-fluoro-1H-pyrazole
CID 90319101
3-bromo-4-iodo-1H-pyrazole
CID 91663939
3-Bromodifluoromethylpyrazole
CID 129862080

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-1H-pyrazole?
The IUPAC name of 4,5-dibromo-1H-pyrazole (CID 22216) is 4,5-dibromo-1H-pyrazole.
What is the SMILES notation for 4,5-dibromo-1H-pyrazole?
The canonical SMILES for 4,5-dibromo-1H-pyrazole is Brc1cn[nH]c1Br.
What is the InChIKey of 4,5-dibromo-1H-pyrazole?
The InChIKey is DFUAIALZXKLUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Br2N2/c4-2-1-6-7-3(2)5/h1H,(H,6,7).
What are the key properties of 4,5-dibromo-1H-pyrazole?
4,5-dibromo-1H-pyrazole has a molecular weight of 225.87 g/mol, XLogP of 1.93, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-1H-pyrazole is sourced from PubChem (CID 22216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).