4-[1-benzyl-7-(trifluoromethyl)indazol-3-yl]phenol

C21H15F3N2O — CID 135433989

IUPAC4-[1-benzyl-7-(trifluoromethyl)indazol-3-yl]phenol
SMILESOc1ccc(-c2nn(Cc3ccccc3)c3c(C(F)(F)F)cccc23)cc1
InChIInChI=1S/C21H15F3N2O/c22-21(23,24)18-8-4-7-17-19(15-9-11-16(27)12-10-15)25-26(20(17)18)13-14-5-2-1-3-6-14/h1-12,27H,13H2
InChIKeyDYDWLVOJCJFDBV-UHFFFAOYSA-N
MW368.36 g/mol
LogP5.48
Rot. Bonds3

About 4-[1-benzyl-7-(trifluoromethyl)indazol-3-yl]phenol

4-[1-benzyl-7-(trifluoromethyl)indazol-3-yl]phenol (PubChem CID 135433989) has the molecular formula C21H15F3N2O and a molecular weight of 368.36 g/mol. Its IUPAC name is 4-[1-benzyl-7-(trifluoromethyl)indazol-3-yl]phenol.

Molecular Properties

Compound Name4-[1-benzyl-7-(trifluoromethyl)indazol-3-yl]phenol
PubChem CID135433989
Molecular FormulaC21H15F3N2O
Molecular Weight368.36 g/mol
Exact Mass368.11
IUPAC Name4-[1-benzyl-7-(trifluoromethyl)indazol-3-yl]phenol
SMILESOc1ccc(-c2nn(Cc3ccccc3)c3c(C(F)(F)F)cccc23)cc1
InChIInChI=1S/C21H15F3N2O/c22-21(23,24)18-8-4-7-17-19(15-9-11-16(27)12-10-15)25-26(20(17)18)13-14-5-2-1-3-6-14/h1-12,27H,13H2
InChIKeyDYDWLVOJCJFDBV-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

Analyze 4-[1-benzyl-7-(trifluoromethyl)indazol-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Way-169916
CID 135461982
4-(7-chloro-1-propyl-1H-indazol-3-yl)phenol
CID 135407148
4-(1-butyl-7-chloro-1H-indazol-3-yl)phenol
CID 135458016
Phenol, 4-(7-chloro-1-cyclopentyl-1H-indazol-3-yl)-
CID 135476471
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-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-[1-(2-hydroxyethyl)-7-(trifluoromethyl)-1H-indazol-3-yl]phenol
CID 135511925

Frequently Asked Questions

What is the IUPAC name of 4-[1-benzyl-7-(trifluoromethyl)indazol-3-yl]phenol?
The IUPAC name of 4-[1-benzyl-7-(trifluoromethyl)indazol-3-yl]phenol (CID 135433989) is 4-[1-benzyl-7-(trifluoromethyl)indazol-3-yl]phenol.
What is the SMILES notation for 4-[1-benzyl-7-(trifluoromethyl)indazol-3-yl]phenol?
The canonical SMILES for 4-[1-benzyl-7-(trifluoromethyl)indazol-3-yl]phenol is Oc1ccc(-c2nn(Cc3ccccc3)c3c(C(F)(F)F)cccc23)cc1.
What is the InChIKey of 4-[1-benzyl-7-(trifluoromethyl)indazol-3-yl]phenol?
The InChIKey is DYDWLVOJCJFDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N2O/c22-21(23,24)18-8-4-7-17-19(15-9-11-16(27)12-10-15)25-26(20(17)18)13-14-5-2-1-3-6-14/h1-12,27H,13H2.
What are the key properties of 4-[1-benzyl-7-(trifluoromethyl)indazol-3-yl]phenol?
4-[1-benzyl-7-(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-7-(trifluoromethyl)indazol-3-yl]phenol is sourced from PubChem (CID 135433989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).