3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]benzaldehyde

C22H15F3N2O — CID 11675307

IUPAC3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]benzaldehyde
SMILESO=Cc1cccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccccc2)c1
InChIInChI=1S/C22H15F3N2O/c23-22(24,25)19-11-5-10-18-20(19)26-27(13-15-6-2-1-3-7-15)21(18)17-9-4-8-16(12-17)14-28/h1-12,14H,13H2
InChIKeyZXDQOGHWEOPVDQ-UHFFFAOYSA-N
MW380.37 g/mol
LogP5.58
Rot. Bonds4

About 3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]benzaldehyde

3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]benzaldehyde (PubChem CID 11675307) has the molecular formula C22H15F3N2O and a molecular weight of 380.37 g/mol. Its IUPAC name is 3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]benzaldehyde.

Molecular Properties

Compound Name3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]benzaldehyde
PubChem CID11675307
Molecular FormulaC22H15F3N2O
Molecular Weight380.37 g/mol
Exact Mass380.11
IUPAC Name3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]benzaldehyde
SMILESO=Cc1cccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccccc2)c1
InChIInChI=1S/C22H15F3N2O/c23-22(24,25)19-11-5-10-18-20(19)26-27(13-15-6-2-1-3-7-15)21(18)17-9-4-8-16(12-17)14-28/h1-12,14H,13H2
InChIKeyZXDQOGHWEOPVDQ-UHFFFAOYSA-N
XLogP5.58
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.37
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]benzaldehyde 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 3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]benzaldehyde?
The IUPAC name of 3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]benzaldehyde (CID 11675307) is 3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]benzaldehyde.
What is the SMILES notation for 3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]benzaldehyde?
The canonical SMILES for 3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]benzaldehyde is O=Cc1cccc(-c2c3cccc(C(F)(F)F)c3nn2Cc2ccccc2)c1.
What is the InChIKey of 3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]benzaldehyde?
The InChIKey is ZXDQOGHWEOPVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O/c23-22(24,25)19-11-5-10-18-20(19)26-27(13-15-6-2-1-3-7-15)21(18)17-9-4-8-16(12-17)14-28/h1-12,14H,13H2.
What are the key properties of 3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]benzaldehyde?
3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]benzaldehyde has a molecular weight of 380.37 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-benzyl-7-(trifluoromethyl)indazol-3-yl]benzaldehyde is sourced from PubChem (CID 11675307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).