3,5-bis(3-bromophenyl)-4-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole

C23H14Br2ClF3N2 — CID 19587018

IUPAC3,5-bis(3-bromophenyl)-4-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
SMILESFC(F)(F)c1cccc(Cn2nc(-c3cccc(Br)c3)c(Cl)c2-c2cccc(Br)c2)c1
InChIInChI=1S/C23H14Br2ClF3N2/c24-18-8-2-5-15(11-18)21-20(26)22(16-6-3-9-19(25)12-16)31(30-21)13-14-4-1-7-17(10-14)23(27,28)29/h1-12H,13H2
InChIKeyVOYIZUOIWUZRFO-UHFFFAOYSA-N
MW570.63 g/mol
LogP8.46
Rot. Bonds4

About 3,5-bis(3-bromophenyl)-4-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole

3,5-bis(3-bromophenyl)-4-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole (PubChem CID 19587018) has the molecular formula C23H14Br2ClF3N2 and a molecular weight of 570.63 g/mol. Its IUPAC name is 3,5-bis(3-bromophenyl)-4-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole.

Molecular Properties

Compound Name3,5-bis(3-bromophenyl)-4-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
PubChem CID19587018
Molecular FormulaC23H14Br2ClF3N2
Molecular Weight570.63 g/mol
Exact Mass567.92
IUPAC Name3,5-bis(3-bromophenyl)-4-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
SMILESFC(F)(F)c1cccc(Cn2nc(-c3cccc(Br)c3)c(Cl)c2-c2cccc(Br)c2)c1
InChIInChI=1S/C23H14Br2ClF3N2/c24-18-8-2-5-15(11-18)21-20(26)22(16-6-3-9-19(25)12-16)31(30-21)13-14-4-1-7-17(10-14)23(27,28)29/h1-12H,13H2
InChIKeyVOYIZUOIWUZRFO-UHFFFAOYSA-N
XLogP8.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.63
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,5-bis(3-bromophenyl)-4-chloro-1-[[3-(trifluoromethyl)phenyl]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

Related Compounds

4-chloro-3,5-bis(4-fluorophenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 19586843
3,5-bis(3-bromophenyl)-4-chloro-1-[(3-methoxyphenyl)methyl]pyrazole
CID 17025240
3,5-bis(3-bromophenyl)-4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazole
CID 19586537
3,5-dibromo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
CID 114692714
3,5-bis(4-bromophenyl)-4-chloro-1-[(3-methylphenyl)methyl]pyrazole
CID 17025409
1-bromo-3-[2-[3-(trifluoromethyl)phenyl]ethyl]benzene
CID 172602830
4-bromo-1-chloro-2-[3-(trifluoromethyl)phenyl]benzene
CID 173139448
1-[(3-bromophenyl)methyl]-5-chloro-3-(difluoromethyl)pyrazole
CID 66016696
1-benzyl-3-bromo-2-[3-(trifluoromethyl)phenyl]indole
CID 162539598
1-[(3-bromophenyl)methyl]-5-chloro-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 63788260
7-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]indazole
CID 67186508
1-(bromomethyl)-3-(trifluoromethyl)benzene;8-bromo-2-[[3-(trifluoromethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 87302446

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(3-bromophenyl)-4-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
The IUPAC name of 3,5-bis(3-bromophenyl)-4-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole (CID 19587018) is 3,5-bis(3-bromophenyl)-4-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole.
What is the SMILES notation for 3,5-bis(3-bromophenyl)-4-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
The canonical SMILES for 3,5-bis(3-bromophenyl)-4-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole is FC(F)(F)c1cccc(Cn2nc(-c3cccc(Br)c3)c(Cl)c2-c2cccc(Br)c2)c1.
What is the InChIKey of 3,5-bis(3-bromophenyl)-4-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
The InChIKey is VOYIZUOIWUZRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Br2ClF3N2/c24-18-8-2-5-15(11-18)21-20(26)22(16-6-3-9-19(25)12-16)31(30-21)13-14-4-1-7-17(10-14)23(27,28)29/h1-12H,13H2.
What are the key properties of 3,5-bis(3-bromophenyl)-4-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole?
3,5-bis(3-bromophenyl)-4-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole has a molecular weight of 570.63 g/mol, XLogP of 8.46, 4 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)-4-chloro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole is sourced from PubChem (CID 19587018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).