6-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole

C17H15F3N2O — CID 90645467

IUPAC6-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESCC(C)Oc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3N2O/c1-10(2)23-16-8-15-11(9-21-22-15)7-13(16)12-5-3-4-6-14(12)17(18,19)20/h3-10H,1-2H3,(H,21,22)
InChIKeyLFOVPEOOEVQMOM-UHFFFAOYSA-N
MW320.31 g/mol
LogP5.04
Rot. Bonds3

About 6-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole

6-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole (PubChem CID 90645467) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is 6-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole.

Molecular Properties

Compound Name6-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole
PubChem CID90645467
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name6-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESCC(C)Oc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3N2O/c1-10(2)23-16-8-15-11(9-21-22-15)7-13(16)12-5-3-4-6-14(12)17(18,19)20/h3-10H,1-2H3,(H,21,22)
InChIKeyLFOVPEOOEVQMOM-UHFFFAOYSA-N
XLogP5.04
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.31
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The IUPAC name of 6-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole (CID 90645467) is 6-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole.
What is the SMILES notation for 6-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The canonical SMILES for 6-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole is CC(C)Oc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 6-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The InChIKey is LFOVPEOOEVQMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O/c1-10(2)23-16-8-15-11(9-21-22-15)7-13(16)12-5-3-4-6-14(12)17(18,19)20/h3-10H,1-2H3,(H,21,22).
What are the key properties of 6-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
6-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole has a molecular weight of 320.31 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-5-[2-(trifluoromethyl)phenyl]-1H-indazole is sourced from PubChem (CID 90645467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).