4-[1-benzyl-6-(trifluoromethyl)indazol-3-yl]phenol

C21H15F3N2O — CID 135436632

IUPAC4-[1-benzyl-6-(trifluoromethyl)indazol-3-yl]phenol
SMILESOc1ccc(-c2nn(Cc3ccccc3)c3cc(C(F)(F)F)ccc23)cc1
InChIInChI=1S/C21H15F3N2O/c22-21(23,24)16-8-11-18-19(12-16)26(13-14-4-2-1-3-5-14)25-20(18)15-6-9-17(27)10-7-15/h1-12,27H,13H2
InChIKeyOIBSPBUHLXVABR-UHFFFAOYSA-N
MW368.36 g/mol
LogP5.48
Rot. Bonds3

About 4-[1-benzyl-6-(trifluoromethyl)indazol-3-yl]phenol

4-[1-benzyl-6-(trifluoromethyl)indazol-3-yl]phenol (PubChem CID 135436632) has the molecular formula C21H15F3N2O and a molecular weight of 368.36 g/mol. Its IUPAC name is 4-[1-benzyl-6-(trifluoromethyl)indazol-3-yl]phenol.

Molecular Properties

Compound Name4-[1-benzyl-6-(trifluoromethyl)indazol-3-yl]phenol
PubChem CID135436632
Molecular FormulaC21H15F3N2O
Molecular Weight368.36 g/mol
Exact Mass368.11
IUPAC Name4-[1-benzyl-6-(trifluoromethyl)indazol-3-yl]phenol
SMILESOc1ccc(-c2nn(Cc3ccccc3)c3cc(C(F)(F)F)ccc23)cc1
InChIInChI=1S/C21H15F3N2O/c22-21(23,24)16-8-11-18-19(12-16)26(13-14-4-2-1-3-5-14)25-20(18)15-6-9-17(27)10-7-15/h1-12,27H,13H2
InChIKeyOIBSPBUHLXVABR-UHFFFAOYSA-N
XLogP5.48
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.36
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Way-169916
CID 135461982
4-(1-benzyl-7-chloro-1H-indazol-3-yl)phenol
CID 135503667
Phenol, 4-(7-methyl-1-propyl-1H-indazol-3-yl)-
CID 135511848
4-(1-cyclopentyl-7-fluoro-1H-indazol-3-yl)phenol
CID 135524867
4-(7-chloro-1-cyclohexyl-1H-indazol-3-yl)phenol
CID 135525228
4-[1-isopropyl-7-(trifluoromethyl)-1H-indazol-3-yl]phenol
CID 135428120
4-[1-benzyl-7-(trifluoromethyl)-1H-indazol-3-yl]phenol
CID 135433989
4-(1-ethyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135438183
4-(1-cyclohexyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135499972
4-[1-isopropyl-7-(trifluoromethyl)-1H-indazol-3-yl]-3-methylphenol
CID 135507439
4-(6-hydroxy-1-propyl-1H-indazol-3-yl)benzene-1,3-diol
CID 135511863
4-[1-(2-hydroxyethyl)-7-(trifluoromethyl)-1H-indazol-3-yl]phenol
CID 135511925

Frequently Asked Questions

What is the IUPAC name of 4-[1-benzyl-6-(trifluoromethyl)indazol-3-yl]phenol?
The IUPAC name of 4-[1-benzyl-6-(trifluoromethyl)indazol-3-yl]phenol (CID 135436632) is 4-[1-benzyl-6-(trifluoromethyl)indazol-3-yl]phenol.
What is the SMILES notation for 4-[1-benzyl-6-(trifluoromethyl)indazol-3-yl]phenol?
The canonical SMILES for 4-[1-benzyl-6-(trifluoromethyl)indazol-3-yl]phenol is Oc1ccc(-c2nn(Cc3ccccc3)c3cc(C(F)(F)F)ccc23)cc1.
What is the InChIKey of 4-[1-benzyl-6-(trifluoromethyl)indazol-3-yl]phenol?
The InChIKey is OIBSPBUHLXVABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O/c22-21(23,24)16-8-11-18-19(12-16)26(13-14-4-2-1-3-5-14)25-20(18)15-6-9-17(27)10-7-15/h1-12,27H,13H2.
What are the key properties of 4-[1-benzyl-6-(trifluoromethyl)indazol-3-yl]phenol?
4-[1-benzyl-6-(trifluoromethyl)indazol-3-yl]phenol has a molecular weight of 368.36 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-benzyl-6-(trifluoromethyl)indazol-3-yl]phenol is sourced from PubChem (CID 135436632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).