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

C16H13F3N2 — CID 90645461

IUPAC6-ethyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESCCc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C16H13F3N2/c1-2-10-8-15-11(9-20-21-15)7-13(10)12-5-3-4-6-14(12)16(17,18)19/h3-9H,2H2,1H3,(H,20,21)
InChIKeyWEDVMUWMFDQGFT-UHFFFAOYSA-N
MW290.29 g/mol
LogP4.81
Rot. Bonds2

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

6-ethyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole (PubChem CID 90645461) has the molecular formula C16H13F3N2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 6-ethyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole.

Molecular Properties

Compound Name6-ethyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole
PubChem CID90645461
Molecular FormulaC16H13F3N2
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name6-ethyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole
SMILESCCc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C16H13F3N2/c1-2-10-8-15-11(9-20-21-15)7-13(10)12-5-3-4-6-14(12)16(17,18)19/h3-9H,2H2,1H3,(H,20,21)
InChIKeyWEDVMUWMFDQGFT-UHFFFAOYSA-N
XLogP4.81
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 6-ethyl-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-ethyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The IUPAC name of 6-ethyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole (CID 90645461) is 6-ethyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole.
What is the SMILES notation for 6-ethyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The canonical SMILES for 6-ethyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole is CCc1cc2[nH]ncc2cc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 6-ethyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
The InChIKey is WEDVMUWMFDQGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2/c1-2-10-8-15-11(9-20-21-15)7-13(10)12-5-3-4-6-14(12)16(17,18)19/h3-9H,2H2,1H3,(H,20,21).
What are the key properties of 6-ethyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole?
6-ethyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole has a molecular weight of 290.29 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-[2-(trifluoromethyl)phenyl]-1H-indazole is sourced from PubChem (CID 90645461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).