2-indazol-1-yl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

C20H19F3N4O — CID 3239674

IUPAC2-indazol-1-yl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
SMILESO=C(Cn1ncc2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H19F3N4O/c21-20(22,23)16-5-3-6-17(12-16)25-8-10-26(11-9-25)19(28)14-27-18-7-2-1-4-15(18)13-24-27/h1-7,12-13H,8-11,14H2
InChIKeyQMVZVNSRWCHHDD-UHFFFAOYSA-N
MW388.39 g/mol
LogP3.40
Rot. Bonds3

About 2-indazol-1-yl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone

2-indazol-1-yl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone (PubChem CID 3239674) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is 2-indazol-1-yl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-indazol-1-yl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
PubChem CID3239674
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC Name2-indazol-1-yl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
SMILESO=C(Cn1ncc2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C20H19F3N4O/c21-20(22,23)16-5-3-6-17(12-16)25-8-10-26(11-9-25)19(28)14-27-18-7-2-1-4-15(18)13-24-27/h1-7,12-13H,8-11,14H2
InChIKeyQMVZVNSRWCHHDD-UHFFFAOYSA-N
XLogP3.40
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-indazol-1-yl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone 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 2-indazol-1-yl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-indazol-1-yl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone (CID 3239674) is 2-indazol-1-yl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-indazol-1-yl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-indazol-1-yl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone is O=C(Cn1ncc2ccccc21)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-indazol-1-yl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
The InChIKey is QMVZVNSRWCHHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c21-20(22,23)16-5-3-6-17(12-16)25-8-10-26(11-9-25)19(28)14-27-18-7-2-1-4-15(18)13-24-27/h1-7,12-13H,8-11,14H2.
What are the key properties of 2-indazol-1-yl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone?
2-indazol-1-yl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone has a molecular weight of 388.39 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-1-yl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 3239674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).