3,5-dibromo-1H-pyrazole;ethane

C5H8Br2N2 — CID 156727917

IUPAC3,5-dibromo-1H-pyrazole;ethane
SMILESBrc1cc(Br)[nH]n1.CC
InChIInChI=1S/C3H2Br2N2.C2H6/c4-2-1-3(5)7-6-2;1-2/h1H,(H,6,7);1-2H3
InChIKeyYTXPDUBRKLOLGE-UHFFFAOYSA-N
MW255.94 g/mol
LogP2.96
Rot. Bonds

About 3,5-dibromo-1H-pyrazole;ethane

3,5-dibromo-1H-pyrazole;ethane (PubChem CID 156727917) has the molecular formula C5H8Br2N2 and a molecular weight of 255.94 g/mol. Its IUPAC name is 3,5-dibromo-1H-pyrazole;ethane.

Molecular Properties

Compound Name3,5-dibromo-1H-pyrazole;ethane
PubChem CID156727917
Molecular FormulaC5H8Br2N2
Molecular Weight255.94 g/mol
Exact Mass253.91
IUPAC Name3,5-dibromo-1H-pyrazole;ethane
SMILESBrc1cc(Br)[nH]n1.CC
InChIInChI=1S/C3H2Br2N2.C2H6/c4-2-1-3(5)7-6-2;1-2/h1H,(H,6,7);1-2H3
InChIKeyYTXPDUBRKLOLGE-UHFFFAOYSA-N
XLogP2.96
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.94
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1H-pyrazole;ethane?
The IUPAC name of 3,5-dibromo-1H-pyrazole;ethane (CID 156727917) is 3,5-dibromo-1H-pyrazole;ethane.
What is the SMILES notation for 3,5-dibromo-1H-pyrazole;ethane?
The canonical SMILES for 3,5-dibromo-1H-pyrazole;ethane is Brc1cc(Br)[nH]n1.CC.
What is the InChIKey of 3,5-dibromo-1H-pyrazole;ethane?
The InChIKey is YTXPDUBRKLOLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2Br2N2.C2H6/c4-2-1-3(5)7-6-2;1-2/h1H,(H,6,7);1-2H3.
What are the key properties of 3,5-dibromo-1H-pyrazole;ethane?
3,5-dibromo-1H-pyrazole;ethane has a molecular weight of 255.94 g/mol, XLogP of 2.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1H-pyrazole;ethane is sourced from PubChem (CID 156727917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).