4-bromo-3-(4-chlorophenyl)-1-tritylpyrazole

C28H20BrClN2 — CID 22031759

IUPAC4-bromo-3-(4-chlorophenyl)-1-tritylpyrazole
SMILESClc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2Br)cc1
InChIInChI=1S/C28H20BrClN2/c29-26-20-32(31-27(26)21-16-18-25(30)19-17-21)28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-20H
InChIKeyXHTKENDYOXSSRT-UHFFFAOYSA-N
MW499.84 g/mol
LogP7.81
Rot. Bonds5

About 4-bromo-3-(4-chlorophenyl)-1-tritylpyrazole

4-bromo-3-(4-chlorophenyl)-1-tritylpyrazole (PubChem CID 22031759) has the molecular formula C28H20BrClN2 and a molecular weight of 499.84 g/mol. Its IUPAC name is 4-bromo-3-(4-chlorophenyl)-1-tritylpyrazole.

Molecular Properties

Compound Name4-bromo-3-(4-chlorophenyl)-1-tritylpyrazole
PubChem CID22031759
Molecular FormulaC28H20BrClN2
Molecular Weight499.84 g/mol
Exact Mass498.05
IUPAC Name4-bromo-3-(4-chlorophenyl)-1-tritylpyrazole
SMILESClc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2Br)cc1
InChIInChI=1S/C28H20BrClN2/c29-26-20-32(31-27(26)21-16-18-25(30)19-17-21)28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-20H
InChIKeyXHTKENDYOXSSRT-UHFFFAOYSA-N
XLogP7.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.84
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 4-bromo-3-(4-chlorophenyl)-1-tritylpyrazole 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-bromo-3-(2,6-difluorophenyl)-1-tritylpyrazole
CID 22032496
[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]boronic acid
CID 22032084
4-bromo-6-fluoro-2-tritylindazole
CID 163220671
4-bromo-6-chloro-2-[(3-methylcyclobuta-1,3-dien-1-yl)-diphenylmethyl]indazole
CID 177329809
5-bromo-3-(4-chlorophenyl)-1-phenyl-4-(trifluoromethyl)pyrazole
CID 10363697
2-chloro-3-(4-chlorophenyl)-5,6-diphenylpyrazine
CID 155576945
[3-(2-fluorophenyl)-1-tritylpyrazol-4-yl]boronic acid
CID 22032291
3-(4-chlorophenyl)-1-phenylpyrazol-4-ol
CID 99938046
3-bromo-5-chloro-1-tritylpyrazole
CID 135206927
4-bromo-5-methyl-1H-pyrazole;4-bromo-3-methyl-1-tritylpyrazole;(3-methyl-1-tritylpyrazol-4-yl)boronic acid
CID 162100762
6-[3-(4-methylsulfanylphenyl)-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridine
CID 22031951
[1-tert-butyl-3-(4-chlorophenyl)pyrazol-4-yl]methanamine
CID 39095767

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(4-chlorophenyl)-1-tritylpyrazole?
The IUPAC name of 4-bromo-3-(4-chlorophenyl)-1-tritylpyrazole (CID 22031759) is 4-bromo-3-(4-chlorophenyl)-1-tritylpyrazole.
What is the SMILES notation for 4-bromo-3-(4-chlorophenyl)-1-tritylpyrazole?
The canonical SMILES for 4-bromo-3-(4-chlorophenyl)-1-tritylpyrazole is Clc1ccc(-c2nn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2Br)cc1.
What is the InChIKey of 4-bromo-3-(4-chlorophenyl)-1-tritylpyrazole?
The InChIKey is XHTKENDYOXSSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20BrClN2/c29-26-20-32(31-27(26)21-16-18-25(30)19-17-21)28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-20H.
What are the key properties of 4-bromo-3-(4-chlorophenyl)-1-tritylpyrazole?
4-bromo-3-(4-chlorophenyl)-1-tritylpyrazole has a molecular weight of 499.84 g/mol, XLogP of 7.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(4-chlorophenyl)-1-tritylpyrazole is sourced from PubChem (CID 22031759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).