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

C22H13ClF6N2 — CID 25137987

IUPAC3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]indazole
SMILESFC(F)(F)c1ccc(Cn2nc3c(C(F)(F)F)cccc3c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H13ClF6N2/c23-16-10-6-14(7-11-16)20-17-2-1-3-18(22(27,28)29)19(17)30-31(20)12-13-4-8-15(9-5-13)21(24,25)26/h1-11H,12H2
InChIKeyQHHCUPZYBPJZNN-UHFFFAOYSA-N
MW454.80 g/mol
LogP7.44
Rot. Bonds3

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

3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]indazole (PubChem CID 25137987) has the molecular formula C22H13ClF6N2 and a molecular weight of 454.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]indazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]indazole
PubChem CID25137987
Molecular FormulaC22H13ClF6N2
Molecular Weight454.80 g/mol
Exact Mass454.07
IUPAC Name3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]indazole
SMILESFC(F)(F)c1ccc(Cn2nc3c(C(F)(F)F)cccc3c2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H13ClF6N2/c23-16-10-6-14(7-11-16)20-17-2-1-3-18(22(27,28)29)19(17)30-31(20)12-13-4-8-15(9-5-13)21(24,25)26/h1-11H,12H2
InChIKeyQHHCUPZYBPJZNN-UHFFFAOYSA-N
XLogP7.44
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.80
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Lxr-623
CID 16734800
3-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]-7-(trifluoromethyl)-2H-indazole
CID 25113722
2-Benzyl-3-phenyl-7-(trifluoromethyl)-2H-indazole
CID 25137977
2-[(2,4-dimethylphenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole
CID 25137978
2-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole
CID 25137979
3-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)-2H-indazole
CID 25137980
2-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole
CID 25137981
2-[(4-chloro-2-fluorophenyl)methyl]-3-(4-chlorophenyl)-7-(trifluoromethyl)-2H-indazole
CID 25137982
2-[(2-chloro-4-fluorophenyl)methyl]-3-(4-chlorophenyl)-7-(trifluoromethyl)-2H-indazole
CID 25137983
3-(4-chlorophenyl)-2-[(2-chlorophenyl)methyl]-7-(trifluoromethyl)-2H-indazole
CID 25137984
3-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]-7-(trifluoromethyl)-2H-indazole
CID 25137985
3-(4-chlorophenyl)-7-(trifluoromethyl)-2-{[2-(trifluoromethyl)phenyl]methyl}-2H-indazole
CID 25137986

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]indazole?
The IUPAC name of 3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]indazole (CID 25137987) is 3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]indazole.
What is the SMILES notation for 3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]indazole?
The canonical SMILES for 3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]indazole is FC(F)(F)c1ccc(Cn2nc3c(C(F)(F)F)cccc3c2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]indazole?
The InChIKey is QHHCUPZYBPJZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClF6N2/c23-16-10-6-14(7-11-16)20-17-2-1-3-18(22(27,28)29)19(17)30-31(20)12-13-4-8-15(9-5-13)21(24,25)26/h1-11H,12H2.
What are the key properties of 3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]indazole?
3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]indazole has a molecular weight of 454.80 g/mol, XLogP of 7.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-7-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methyl]indazole is sourced from PubChem (CID 25137987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).