3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-7-(trifluoromethyl)indazole

C21H13Cl2F3N2 — CID 25137984

IUPAC3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-7-(trifluoromethyl)indazole
SMILESFC(F)(F)c1cccc2c(-c3ccc(Cl)cc3)n(Cc3ccccc3Cl)nc12
InChIInChI=1S/C21H13Cl2F3N2/c22-15-10-8-13(9-11-15)20-16-5-3-6-17(21(24,25)26)19(16)27-28(20)12-14-4-1-2-7-18(14)23/h1-11H,12H2
InChIKeyDTDVBYRJYQLMSF-UHFFFAOYSA-N
MW421.25 g/mol
LogP7.08
Rot. Bonds3

About 3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-7-(trifluoromethyl)indazole

3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-7-(trifluoromethyl)indazole (PubChem CID 25137984) has the molecular formula C21H13Cl2F3N2 and a molecular weight of 421.25 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-7-(trifluoromethyl)indazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-7-(trifluoromethyl)indazole
PubChem CID25137984
Molecular FormulaC21H13Cl2F3N2
Molecular Weight421.25 g/mol
Exact Mass420.04
IUPAC Name3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-7-(trifluoromethyl)indazole
SMILESFC(F)(F)c1cccc2c(-c3ccc(Cl)cc3)n(Cc3ccccc3Cl)nc12
InChIInChI=1S/C21H13Cl2F3N2/c22-15-10-8-13(9-11-15)20-16-5-3-6-17(21(24,25)26)19(16)27-28(20)12-14-4-1-2-7-18(14)23/h1-11H,12H2
InChIKeyDTDVBYRJYQLMSF-UHFFFAOYSA-N
XLogP7.08
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.25
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-7-(trifluoromethyl)indazole 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-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-7-(trifluoromethyl)indazole?
The IUPAC name of 3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-7-(trifluoromethyl)indazole (CID 25137984) is 3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-7-(trifluoromethyl)indazole.
What is the SMILES notation for 3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-7-(trifluoromethyl)indazole?
The canonical SMILES for 3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-7-(trifluoromethyl)indazole is FC(F)(F)c1cccc2c(-c3ccc(Cl)cc3)n(Cc3ccccc3Cl)nc12.
What is the InChIKey of 3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-7-(trifluoromethyl)indazole?
The InChIKey is DTDVBYRJYQLMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2F3N2/c22-15-10-8-13(9-11-15)20-16-5-3-6-17(21(24,25)26)19(16)27-28(20)12-14-4-1-2-7-18(14)23/h1-11H,12H2.
What are the key properties of 3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-7-(trifluoromethyl)indazole?
3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-7-(trifluoromethyl)indazole has a molecular weight of 421.25 g/mol, XLogP of 7.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-7-(trifluoromethyl)indazole is sourced from PubChem (CID 25137984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).