5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole

C20H12ClF3N2 — CID 121402602

IUPAC5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole
SMILESFC(F)(F)c1cccc(-c2cccc(-c3n[nH]c4ccc(Cl)cc34)c2)c1
InChIInChI=1S/C20H12ClF3N2/c21-16-7-8-18-17(11-16)19(26-25-18)14-5-1-3-12(9-14)13-4-2-6-15(10-13)20(22,23)24/h1-11H,(H,25,26)
InChIKeyZYUKPCVDUDGUIS-UHFFFAOYSA-N
MW372.78 g/mol
LogP6.57
Rot. Bonds2

About 5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole

5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole (PubChem CID 121402602) has the molecular formula C20H12ClF3N2 and a molecular weight of 372.78 g/mol. Its IUPAC name is 5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole.

Molecular Properties

Compound Name5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole
PubChem CID121402602
Molecular FormulaC20H12ClF3N2
Molecular Weight372.78 g/mol
Exact Mass372.06
IUPAC Name5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole
SMILESFC(F)(F)c1cccc(-c2cccc(-c3n[nH]c4ccc(Cl)cc34)c2)c1
InChIInChI=1S/C20H12ClF3N2/c21-16-7-8-18-17(11-16)19(26-25-18)14-5-1-3-12(9-14)13-4-2-6-15(10-13)20(22,23)24/h1-11H,(H,25,26)
InChIKeyZYUKPCVDUDGUIS-UHFFFAOYSA-N
XLogP6.57
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.78
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole?
The IUPAC name of 5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole (CID 121402602) is 5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole.
What is the SMILES notation for 5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole?
The canonical SMILES for 5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole is FC(F)(F)c1cccc(-c2cccc(-c3n[nH]c4ccc(Cl)cc34)c2)c1.
What is the InChIKey of 5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole?
The InChIKey is ZYUKPCVDUDGUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF3N2/c21-16-7-8-18-17(11-16)19(26-25-18)14-5-1-3-12(9-14)13-4-2-6-15(10-13)20(22,23)24/h1-11H,(H,25,26).
What are the key properties of 5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole?
5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole has a molecular weight of 372.78 g/mol, XLogP of 6.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[3-[3-(trifluoromethyl)phenyl]phenyl]-1H-indazole is sourced from PubChem (CID 121402602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).