bis(4-bromopyrazol-1-yl)methanimine

C7H5Br2N5 — CID 155260278

IUPACbis(4-bromopyrazol-1-yl)methanimine
SMILES[H]N=C(n1cc(Br)cn1)n1cc(Br)cn1
InChIInChI=1S/C7H5Br2N5/c8-5-1-11-13(3-5)7(10)14-4-6(9)2-12-14/h1-4,10H
InChIKeyGINLRZHHEYKDBL-UHFFFAOYSA-N
MW318.96 g/mol
LogP1.94
Rot. Bonds

About bis(4-bromopyrazol-1-yl)methanimine

bis(4-bromopyrazol-1-yl)methanimine (PubChem CID 155260278) has the molecular formula C7H5Br2N5 and a molecular weight of 318.96 g/mol. Its IUPAC name is bis(4-bromopyrazol-1-yl)methanimine.

Molecular Properties

Compound Namebis(4-bromopyrazol-1-yl)methanimine
PubChem CID155260278
Molecular FormulaC7H5Br2N5
Molecular Weight318.96 g/mol
Exact Mass316.89
IUPAC Namebis(4-bromopyrazol-1-yl)methanimine
SMILES[H]N=C(n1cc(Br)cn1)n1cc(Br)cn1
InChIInChI=1S/C7H5Br2N5/c8-5-1-11-13(3-5)7(10)14-4-6(9)2-12-14/h1-4,10H
InChIKeyGINLRZHHEYKDBL-UHFFFAOYSA-N
XLogP1.94
TPSA59.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.96
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(4-bromopyrazol-1-yl)methanimine?
The IUPAC name of bis(4-bromopyrazol-1-yl)methanimine (CID 155260278) is bis(4-bromopyrazol-1-yl)methanimine.
What is the SMILES notation for bis(4-bromopyrazol-1-yl)methanimine?
The canonical SMILES for bis(4-bromopyrazol-1-yl)methanimine is [H]N=C(n1cc(Br)cn1)n1cc(Br)cn1.
What is the InChIKey of bis(4-bromopyrazol-1-yl)methanimine?
The InChIKey is GINLRZHHEYKDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2N5/c8-5-1-11-13(3-5)7(10)14-4-6(9)2-12-14/h1-4,10H.
What are the key properties of bis(4-bromopyrazol-1-yl)methanimine?
bis(4-bromopyrazol-1-yl)methanimine has a molecular weight of 318.96 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-bromopyrazol-1-yl)methanimine is sourced from PubChem (CID 155260278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).