4-(2,2-dibromoethenyl)-1H-pyrazole

C5H4Br2N2 — CID 87176751

IUPAC4-(2,2-dibromoethenyl)-1H-pyrazole
SMILESBrC(Br)=Cc1cn[nH]c1
InChIInChI=1S/C5H4Br2N2/c6-5(7)1-4-2-8-9-3-4/h1-3H,(H,8,9)
InChIKeyLIUPGPSLAWVFRS-UHFFFAOYSA-N
MW251.91 g/mol
LogP2.50
Rot. Bonds1

About 4-(2,2-dibromoethenyl)-1H-pyrazole

4-(2,2-dibromoethenyl)-1H-pyrazole (PubChem CID 87176751) has the molecular formula C5H4Br2N2 and a molecular weight of 251.91 g/mol. Its IUPAC name is 4-(2,2-dibromoethenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(2,2-dibromoethenyl)-1H-pyrazole
PubChem CID87176751
Molecular FormulaC5H4Br2N2
Molecular Weight251.91 g/mol
Exact Mass249.87
IUPAC Name4-(2,2-dibromoethenyl)-1H-pyrazole
SMILESBrC(Br)=Cc1cn[nH]c1
InChIInChI=1S/C5H4Br2N2/c6-5(7)1-4-2-8-9-3-4/h1-3H,(H,8,9)
InChIKeyLIUPGPSLAWVFRS-UHFFFAOYSA-N
XLogP2.50
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.91
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dibromoethenyl)-1H-pyrazole?
The IUPAC name of 4-(2,2-dibromoethenyl)-1H-pyrazole (CID 87176751) is 4-(2,2-dibromoethenyl)-1H-pyrazole.
What is the SMILES notation for 4-(2,2-dibromoethenyl)-1H-pyrazole?
The canonical SMILES for 4-(2,2-dibromoethenyl)-1H-pyrazole is BrC(Br)=Cc1cn[nH]c1.
What is the InChIKey of 4-(2,2-dibromoethenyl)-1H-pyrazole?
The InChIKey is LIUPGPSLAWVFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br2N2/c6-5(7)1-4-2-8-9-3-4/h1-3H,(H,8,9).
What are the key properties of 4-(2,2-dibromoethenyl)-1H-pyrazole?
4-(2,2-dibromoethenyl)-1H-pyrazole has a molecular weight of 251.91 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dibromoethenyl)-1H-pyrazole is sourced from PubChem (CID 87176751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).