3-phenyl-1-[4-(trifluoromethyl)phenyl]indazole

C20H13F3N2 — CID 102441291

IUPAC3-phenyl-1-[4-(trifluoromethyl)phenyl]indazole
SMILESFC(F)(F)c1ccc(-n2nc(-c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C20H13F3N2/c21-20(22,23)15-10-12-16(13-11-15)25-18-9-5-4-8-17(18)19(24-25)14-6-2-1-3-7-14/h1-13H
InChIKeyZHLHKXBKPRXBOX-UHFFFAOYSA-N
MW338.33 g/mol
LogP5.71
Rot. Bonds2

About 3-phenyl-1-[4-(trifluoromethyl)phenyl]indazole

3-phenyl-1-[4-(trifluoromethyl)phenyl]indazole (PubChem CID 102441291) has the molecular formula C20H13F3N2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 3-phenyl-1-[4-(trifluoromethyl)phenyl]indazole.

Molecular Properties

Compound Name3-phenyl-1-[4-(trifluoromethyl)phenyl]indazole
PubChem CID102441291
Molecular FormulaC20H13F3N2
Molecular Weight338.33 g/mol
Exact Mass338.10
IUPAC Name3-phenyl-1-[4-(trifluoromethyl)phenyl]indazole
SMILESFC(F)(F)c1ccc(-n2nc(-c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C20H13F3N2/c21-20(22,23)15-10-12-16(13-11-15)25-18-9-5-4-8-17(18)19(24-25)14-6-2-1-3-7-14/h1-13H
InChIKeyZHLHKXBKPRXBOX-UHFFFAOYSA-N
XLogP5.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.33
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis[3-(trifluoromethyl)phenyl]indazole
CID 21044944
3-(4-chlorophenyl)-1-phenylindazole
CID 102190683
1-(oxan-4-yl)-4-[1-[4-(trifluoromethyl)phenyl]indazol-3-yl]pyridin-2-one
CID 176747636
4-[1-(4-carbamoylphenyl)indazol-3-yl]benzoic acid
CID 22012959
4-(1-phenylindazol-3-yl)benzonitrile
CID 57379769
4-[3-[4-(hydroxyamino)phenyl]indazol-1-yl]benzoic acid
CID 91487700
[4-[1-(4-carboxyphenyl)indazol-3-yl]phenyl]-oxidoazanium
CID 59960131
4-[3-(trifluoromethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]phthalazin-1-one
CID 22079228
1-(2,6-dimethylphenyl)-3-phenylindazole
CID 59661510
1-[4-[2,5-dimethyl-4-(3-phenylindazol-1-yl)phenyl]-2,5-dimethylphenyl]-3-phenylindazole
CID 143732835
1-(4-chlorophenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 3821841
2,5-diphenylpyrazolo[4,3-c]cinnolin-3-one
CID 139237980

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[4-(trifluoromethyl)phenyl]indazole?
The IUPAC name of 3-phenyl-1-[4-(trifluoromethyl)phenyl]indazole (CID 102441291) is 3-phenyl-1-[4-(trifluoromethyl)phenyl]indazole.
What is the SMILES notation for 3-phenyl-1-[4-(trifluoromethyl)phenyl]indazole?
The canonical SMILES for 3-phenyl-1-[4-(trifluoromethyl)phenyl]indazole is FC(F)(F)c1ccc(-n2nc(-c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 3-phenyl-1-[4-(trifluoromethyl)phenyl]indazole?
The InChIKey is ZHLHKXBKPRXBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2/c21-20(22,23)15-10-12-16(13-11-15)25-18-9-5-4-8-17(18)19(24-25)14-6-2-1-3-7-14/h1-13H.
What are the key properties of 3-phenyl-1-[4-(trifluoromethyl)phenyl]indazole?
3-phenyl-1-[4-(trifluoromethyl)phenyl]indazole has a molecular weight of 338.33 g/mol, XLogP of 5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[4-(trifluoromethyl)phenyl]indazole is sourced from PubChem (CID 102441291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).