5-bromo-1-(4-bromophenyl)pyrazole

C9H6Br2N2 — CID 79020245

IUPAC5-bromo-1-(4-bromophenyl)pyrazole
SMILESBrc1ccc(-n2nccc2Br)cc1
InChIInChI=1S/C9H6Br2N2/c10-7-1-3-8(4-2-7)13-9(11)5-6-12-13/h1-6H
InChIKeyUUSWXTBMMTUFBO-UHFFFAOYSA-N
MW301.97 g/mol
LogP3.40
Rot. Bonds1

About 5-bromo-1-(4-bromophenyl)pyrazole

5-bromo-1-(4-bromophenyl)pyrazole (PubChem CID 79020245) has the molecular formula C9H6Br2N2 and a molecular weight of 301.97 g/mol. Its IUPAC name is 5-bromo-1-(4-bromophenyl)pyrazole.

Molecular Properties

Compound Name5-bromo-1-(4-bromophenyl)pyrazole
PubChem CID79020245
Molecular FormulaC9H6Br2N2
Molecular Weight301.97 g/mol
Exact Mass299.89
IUPAC Name5-bromo-1-(4-bromophenyl)pyrazole
SMILESBrc1ccc(-n2nccc2Br)cc1
InChIInChI=1S/C9H6Br2N2/c10-7-1-3-8(4-2-7)13-9(11)5-6-12-13/h1-6H
InChIKeyUUSWXTBMMTUFBO-UHFFFAOYSA-N
XLogP3.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.97
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-1-(4-bromophenyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-bromophenyl)pyrazole?
The IUPAC name of 5-bromo-1-(4-bromophenyl)pyrazole (CID 79020245) is 5-bromo-1-(4-bromophenyl)pyrazole.
What is the SMILES notation for 5-bromo-1-(4-bromophenyl)pyrazole?
The canonical SMILES for 5-bromo-1-(4-bromophenyl)pyrazole is Brc1ccc(-n2nccc2Br)cc1.
What is the InChIKey of 5-bromo-1-(4-bromophenyl)pyrazole?
The InChIKey is UUSWXTBMMTUFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2N2/c10-7-1-3-8(4-2-7)13-9(11)5-6-12-13/h1-6H.
What are the key properties of 5-bromo-1-(4-bromophenyl)pyrazole?
5-bromo-1-(4-bromophenyl)pyrazole has a molecular weight of 301.97 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-bromophenyl)pyrazole is sourced from PubChem (CID 79020245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).