4-bromo-1-ethenylpyrazole

C5H5BrN2 — CID 13498184

IUPAC4-bromo-1-ethenylpyrazole
SMILESC=Cn1cc(Br)cn1
InChIInChI=1S/C5H5BrN2/c1-2-8-4-5(6)3-7-8/h2-4H,1H2
InChIKeyXCFPSTHDQFDHPP-UHFFFAOYSA-N
MW173.01 g/mol
LogP1.75
Rot. Bonds1

About 4-bromo-1-ethenylpyrazole

4-bromo-1-ethenylpyrazole (PubChem CID 13498184) has the molecular formula C5H5BrN2 and a molecular weight of 173.01 g/mol. Its IUPAC name is 4-bromo-1-ethenylpyrazole.

Molecular Properties

Compound Name4-bromo-1-ethenylpyrazole
PubChem CID13498184
Molecular FormulaC5H5BrN2
Molecular Weight173.01 g/mol
Exact Mass171.96
IUPAC Name4-bromo-1-ethenylpyrazole
SMILESC=Cn1cc(Br)cn1
InChIInChI=1S/C5H5BrN2/c1-2-8-4-5(6)3-7-8/h2-4H,1H2
InChIKeyXCFPSTHDQFDHPP-UHFFFAOYSA-N
XLogP1.75
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.01
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-ethenylpyrazole?
The IUPAC name of 4-bromo-1-ethenylpyrazole (CID 13498184) is 4-bromo-1-ethenylpyrazole.
What is the SMILES notation for 4-bromo-1-ethenylpyrazole?
The canonical SMILES for 4-bromo-1-ethenylpyrazole is C=Cn1cc(Br)cn1.
What is the InChIKey of 4-bromo-1-ethenylpyrazole?
The InChIKey is XCFPSTHDQFDHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2/c1-2-8-4-5(6)3-7-8/h2-4H,1H2.
What are the key properties of 4-bromo-1-ethenylpyrazole?
4-bromo-1-ethenylpyrazole has a molecular weight of 173.01 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-ethenylpyrazole is sourced from PubChem (CID 13498184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).