3,5-dibromo-1-ethylpyrazole

C5H6Br2N2 — CID 114692459

IUPAC3,5-dibromo-1-ethylpyrazole
SMILESCCn1nc(Br)cc1Br
InChIInChI=1S/C5H6Br2N2/c1-2-9-5(7)3-4(6)8-9/h3H,2H2,1H3
InChIKeyWHFNRGXOYNUQPH-UHFFFAOYSA-N
MW253.92 g/mol
LogP2.43
Rot. Bonds1

About 3,5-dibromo-1-ethylpyrazole

3,5-dibromo-1-ethylpyrazole (PubChem CID 114692459) has the molecular formula C5H6Br2N2 and a molecular weight of 253.92 g/mol. Its IUPAC name is 3,5-dibromo-1-ethylpyrazole.

Molecular Properties

Compound Name3,5-dibromo-1-ethylpyrazole
PubChem CID114692459
Molecular FormulaC5H6Br2N2
Molecular Weight253.92 g/mol
Exact Mass251.89
IUPAC Name3,5-dibromo-1-ethylpyrazole
SMILESCCn1nc(Br)cc1Br
InChIInChI=1S/C5H6Br2N2/c1-2-9-5(7)3-4(6)8-9/h3H,2H2,1H3
InChIKeyWHFNRGXOYNUQPH-UHFFFAOYSA-N
XLogP2.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.92
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-1-ethylpyrazole?
The IUPAC name of 3,5-dibromo-1-ethylpyrazole (CID 114692459) is 3,5-dibromo-1-ethylpyrazole.
What is the SMILES notation for 3,5-dibromo-1-ethylpyrazole?
The canonical SMILES for 3,5-dibromo-1-ethylpyrazole is CCn1nc(Br)cc1Br.
What is the InChIKey of 3,5-dibromo-1-ethylpyrazole?
The InChIKey is WHFNRGXOYNUQPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6Br2N2/c1-2-9-5(7)3-4(6)8-9/h3H,2H2,1H3.
What are the key properties of 3,5-dibromo-1-ethylpyrazole?
3,5-dibromo-1-ethylpyrazole has a molecular weight of 253.92 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-1-ethylpyrazole is sourced from PubChem (CID 114692459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).