5-[3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]phenyl]-1H-pyrazole;2,2,2-trifluoroacetic acid

C28H25F3N2O2 — CID 123779694

IUPAC5-[3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]phenyl]-1H-pyrazole;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cc(-c2ccc(CCC3Cc4ccccc4C3)cc2)cc(-c2ccn[nH]2)c1
InChIInChI=1S/C26H24N2.C2HF3O2/c1-2-5-23-17-20(16-22(23)4-1)9-8-19-10-12-21(13-11-19)24-6-3-7-25(18-24)26-14-15-27-28-26;3-2(4,5)1(6)7/h1-7,10-15,18,20H,8-9,16-17H2,(H,27,28);(H,6,7)
InChIKeyHYJXETYRDVBPLJ-UHFFFAOYSA-N
MW478.51 g/mol
LogP6.72
Rot. Bonds5

About 5-[3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]phenyl]-1H-pyrazole;2,2,2-trifluoroacetic acid

5-[3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]phenyl]-1H-pyrazole;2,2,2-trifluoroacetic acid (PubChem CID 123779694) has the molecular formula C28H25F3N2O2 and a molecular weight of 478.51 g/mol. Its IUPAC name is 5-[3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]phenyl]-1H-pyrazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-[3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]phenyl]-1H-pyrazole;2,2,2-trifluoroacetic acid
PubChem CID123779694
Molecular FormulaC28H25F3N2O2
Molecular Weight478.51 g/mol
Exact Mass478.19
IUPAC Name5-[3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]phenyl]-1H-pyrazole;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cc(-c2ccc(CCC3Cc4ccccc4C3)cc2)cc(-c2ccn[nH]2)c1
InChIInChI=1S/C26H24N2.C2HF3O2/c1-2-5-23-17-20(16-22(23)4-1)9-8-19-10-12-21(13-11-19)24-6-3-7-25(18-24)26-14-15-27-28-26;3-2(4,5)1(6)7/h1-7,10-15,18,20H,8-9,16-17H2,(H,27,28);(H,6,7)
InChIKeyHYJXETYRDVBPLJ-UHFFFAOYSA-N
XLogP6.72
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.51
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]phenyl]-1H-pyrazole;2,2,2-trifluoroacetic acid 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 5-[3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]phenyl]-1H-pyrazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-[3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]phenyl]-1H-pyrazole;2,2,2-trifluoroacetic acid (CID 123779694) is 5-[3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]phenyl]-1H-pyrazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-[3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]phenyl]-1H-pyrazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-[3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]phenyl]-1H-pyrazole;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1cc(-c2ccc(CCC3Cc4ccccc4C3)cc2)cc(-c2ccn[nH]2)c1.
What is the InChIKey of 5-[3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]phenyl]-1H-pyrazole;2,2,2-trifluoroacetic acid?
The InChIKey is HYJXETYRDVBPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2.C2HF3O2/c1-2-5-23-17-20(16-22(23)4-1)9-8-19-10-12-21(13-11-19)24-6-3-7-25(18-24)26-14-15-27-28-26;3-2(4,5)1(6)7/h1-7,10-15,18,20H,8-9,16-17H2,(H,27,28);(H,6,7).
What are the key properties of 5-[3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]phenyl]-1H-pyrazole;2,2,2-trifluoroacetic acid?
5-[3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]phenyl]-1H-pyrazole;2,2,2-trifluoroacetic acid has a molecular weight of 478.51 g/mol, XLogP of 6.72, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[2-(2,3-dihydro-1H-inden-2-yl)ethyl]phenyl]phenyl]-1H-pyrazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 123779694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).