3,5-bis(3-bromophenyl)-1-[(4-ethenylphenyl)methyl]pyrazole

C24H18Br2N2 — CID 17025237

IUPAC3,5-bis(3-bromophenyl)-1-[(4-ethenylphenyl)methyl]pyrazole
SMILESC=Cc1ccc(Cn2nc(-c3cccc(Br)c3)cc2-c2cccc(Br)c2)cc1
InChIInChI=1S/C24H18Br2N2/c1-2-17-9-11-18(12-10-17)16-28-24(20-6-4-8-22(26)14-20)15-23(27-28)19-5-3-7-21(25)13-19/h2-15H,1,16H2
InChIKeyVSBWMXYTRQFJGO-UHFFFAOYSA-N
MW494.23 g/mol
LogP7.43
Rot. Bonds5

About 3,5-bis(3-bromophenyl)-1-[(4-ethenylphenyl)methyl]pyrazole

3,5-bis(3-bromophenyl)-1-[(4-ethenylphenyl)methyl]pyrazole (PubChem CID 17025237) has the molecular formula C24H18Br2N2 and a molecular weight of 494.23 g/mol. Its IUPAC name is 3,5-bis(3-bromophenyl)-1-[(4-ethenylphenyl)methyl]pyrazole.

Molecular Properties

Compound Name3,5-bis(3-bromophenyl)-1-[(4-ethenylphenyl)methyl]pyrazole
PubChem CID17025237
Molecular FormulaC24H18Br2N2
Molecular Weight494.23 g/mol
Exact Mass491.98
IUPAC Name3,5-bis(3-bromophenyl)-1-[(4-ethenylphenyl)methyl]pyrazole
SMILESC=Cc1ccc(Cn2nc(-c3cccc(Br)c3)cc2-c2cccc(Br)c2)cc1
InChIInChI=1S/C24H18Br2N2/c1-2-17-9-11-18(12-10-17)16-28-24(20-6-4-8-22(26)14-20)15-23(27-28)19-5-3-7-21(25)13-19/h2-15H,1,16H2
InChIKeyVSBWMXYTRQFJGO-UHFFFAOYSA-N
XLogP7.43
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.23
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,5-bis(3-bromophenyl)-1-[(4-ethenylphenyl)methyl]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 3,5-bis(3-bromophenyl)-1-[(4-ethenylphenyl)methyl]pyrazole?
The IUPAC name of 3,5-bis(3-bromophenyl)-1-[(4-ethenylphenyl)methyl]pyrazole (CID 17025237) is 3,5-bis(3-bromophenyl)-1-[(4-ethenylphenyl)methyl]pyrazole.
What is the SMILES notation for 3,5-bis(3-bromophenyl)-1-[(4-ethenylphenyl)methyl]pyrazole?
The canonical SMILES for 3,5-bis(3-bromophenyl)-1-[(4-ethenylphenyl)methyl]pyrazole is C=Cc1ccc(Cn2nc(-c3cccc(Br)c3)cc2-c2cccc(Br)c2)cc1.
What is the InChIKey of 3,5-bis(3-bromophenyl)-1-[(4-ethenylphenyl)methyl]pyrazole?
The InChIKey is VSBWMXYTRQFJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Br2N2/c1-2-17-9-11-18(12-10-17)16-28-24(20-6-4-8-22(26)14-20)15-23(27-28)19-5-3-7-21(25)13-19/h2-15H,1,16H2.
What are the key properties of 3,5-bis(3-bromophenyl)-1-[(4-ethenylphenyl)methyl]pyrazole?
3,5-bis(3-bromophenyl)-1-[(4-ethenylphenyl)methyl]pyrazole has a molecular weight of 494.23 g/mol, XLogP of 7.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(3-bromophenyl)-1-[(4-ethenylphenyl)methyl]pyrazole is sourced from PubChem (CID 17025237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).