1-[(4-bromophenyl)methyl]-5-[1-[(4-bromophenyl)methyl]indol-3-yl]pyrazole-3-carboxylic acid

C26H19Br2N3O2 — CID 141254406

IUPAC1-[(4-bromophenyl)methyl]-5-[1-[(4-bromophenyl)methyl]indol-3-yl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cn(Cc3ccc(Br)cc3)c3ccccc23)n(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C26H19Br2N3O2/c27-19-9-5-17(6-10-19)14-30-16-22(21-3-1-2-4-24(21)30)25-13-23(26(32)33)29-31(25)15-18-7-11-20(28)12-8-18/h1-13,16H,14-15H2,(H,32,33)
InChIKeyHYDZXUGVRIISIG-UHFFFAOYSA-N
MW565.27 g/mol
LogP6.82
Rot. Bonds6

About 1-[(4-bromophenyl)methyl]-5-[1-[(4-bromophenyl)methyl]indol-3-yl]pyrazole-3-carboxylic acid

1-[(4-bromophenyl)methyl]-5-[1-[(4-bromophenyl)methyl]indol-3-yl]pyrazole-3-carboxylic acid (PubChem CID 141254406) has the molecular formula C26H19Br2N3O2 and a molecular weight of 565.27 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-5-[1-[(4-bromophenyl)methyl]indol-3-yl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-5-[1-[(4-bromophenyl)methyl]indol-3-yl]pyrazole-3-carboxylic acid
PubChem CID141254406
Molecular FormulaC26H19Br2N3O2
Molecular Weight565.27 g/mol
Exact Mass562.98
IUPAC Name1-[(4-bromophenyl)methyl]-5-[1-[(4-bromophenyl)methyl]indol-3-yl]pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cn(Cc3ccc(Br)cc3)c3ccccc23)n(Cc2ccc(Br)cc2)n1
InChIInChI=1S/C26H19Br2N3O2/c27-19-9-5-17(6-10-19)14-30-16-22(21-3-1-2-4-24(21)30)25-13-23(26(32)33)29-31(25)15-18-7-11-20(28)12-8-18/h1-13,16H,14-15H2,(H,32,33)
InChIKeyHYDZXUGVRIISIG-UHFFFAOYSA-N
XLogP6.82
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.27
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(4-bromophenyl)methyl]-5-[1-[(4-bromophenyl)methyl]indol-3-yl]pyrazole-3-carboxylic acid 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

3-(1-Ethyl-1h-Indol-3-Yl)-1-Methyl-1h-Pyrazole-5-Carboxylic Acid
CID 122164592
6-[(6-Bromo-2-phenylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid
CID 60151285
3-(1-ethylindol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 20109894
Methyl 3-(1-ethylindol-3-yl)-1-methylpyrazole-5-carboxylate
CID 145965762
3-(1-butylindol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 145974412
3-(1-propan-2-ylindol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 145976300
3-(1-benzylindol-3-yl)-1H-pyrazole-5-carboxylic acid
CID 70695124
1-(2,4-Dibromobenzyl)-1H-indazole-3-carboxylic acid
CID 73080
1H-Indazole-3-carboxylic acid, 1-(p-bromobenzyl)-
CID 206429
3-Fluoro-4-[4-fluoro-1-[(2-pyrazol-1-ylphenyl)methyl]indazol-3-yl]benzoic acid
CID 73295204
6-[[2-Methyl-1-(1-methylpyrazol-4-yl)indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 137643757
3-[[2-Methyl-1-(1-methylpyrazol-4-yl)indol-3-yl]methyl]benzoic acid
CID 137652437

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-5-[1-[(4-bromophenyl)methyl]indol-3-yl]pyrazole-3-carboxylic acid?
The IUPAC name of 1-[(4-bromophenyl)methyl]-5-[1-[(4-bromophenyl)methyl]indol-3-yl]pyrazole-3-carboxylic acid (CID 141254406) is 1-[(4-bromophenyl)methyl]-5-[1-[(4-bromophenyl)methyl]indol-3-yl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-5-[1-[(4-bromophenyl)methyl]indol-3-yl]pyrazole-3-carboxylic acid?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-5-[1-[(4-bromophenyl)methyl]indol-3-yl]pyrazole-3-carboxylic acid is O=C(O)c1cc(-c2cn(Cc3ccc(Br)cc3)c3ccccc23)n(Cc2ccc(Br)cc2)n1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-5-[1-[(4-bromophenyl)methyl]indol-3-yl]pyrazole-3-carboxylic acid?
The InChIKey is HYDZXUGVRIISIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19Br2N3O2/c27-19-9-5-17(6-10-19)14-30-16-22(21-3-1-2-4-24(21)30)25-13-23(26(32)33)29-31(25)15-18-7-11-20(28)12-8-18/h1-13,16H,14-15H2,(H,32,33).
What are the key properties of 1-[(4-bromophenyl)methyl]-5-[1-[(4-bromophenyl)methyl]indol-3-yl]pyrazole-3-carboxylic acid?
1-[(4-bromophenyl)methyl]-5-[1-[(4-bromophenyl)methyl]indol-3-yl]pyrazole-3-carboxylic acid has a molecular weight of 565.27 g/mol, XLogP of 6.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-5-[1-[(4-bromophenyl)methyl]indol-3-yl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 141254406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).