1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-5-carbaldehyde

C17H10F6N2O — CID 86654538

IUPAC1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-5-carbaldehyde
SMILESO=Cc1ccc2c(cnn2Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1
InChIInChI=1S/C17H10F6N2O/c18-16(19,20)13-3-2-11(14(6-13)17(21,22)23)8-25-15-4-1-10(9-26)5-12(15)7-24-25/h1-7,9H,8H2
InChIKeyKGEKYNHGJNDZDX-UHFFFAOYSA-N
MW372.27 g/mol
LogP4.93
Rot. Bonds3

About 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-5-carbaldehyde

1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-5-carbaldehyde (PubChem CID 86654538) has the molecular formula C17H10F6N2O and a molecular weight of 372.27 g/mol. Its IUPAC name is 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-5-carbaldehyde.

Molecular Properties

Compound Name1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-5-carbaldehyde
PubChem CID86654538
Molecular FormulaC17H10F6N2O
Molecular Weight372.27 g/mol
Exact Mass372.07
IUPAC Name1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-5-carbaldehyde
SMILESO=Cc1ccc2c(cnn2Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1
InChIInChI=1S/C17H10F6N2O/c18-16(19,20)13-3-2-11(14(6-13)17(21,22)23)8-25-15-4-1-10(9-26)5-12(15)7-24-25/h1-7,9H,8H2
InChIKeyKGEKYNHGJNDZDX-UHFFFAOYSA-N
XLogP4.93
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-5-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

N-(3,4-difluorophenyl)-1-methylindazole-5-carboxamide
CID 77844720
2-(4-((methylamino)methyl)-3-(trifluoromethyl)phenyl)-2H-indazole-7-carboxamide
CID 46226354
1-(4-Fluorophenyl)-1H-indazole-4-carboxylic acid 3-trifluoromethyl-benzylamide
CID 58138826
N-(3,4-difluorophenyl)-2-methylindazole-5-carboxamide
CID 77844721
N-[(6-methyl-2-oxo-4-propyl-1H-pyridin-3-yl)methyl]-1-propan-2-yl-6-[4-(trifluoromethyl)phenyl]indazole-4-carboxamide
CID 155560875
1-[(3-fluorophenyl)methyl]-N-[[2-(trifluoromethyl)phenyl]methyl]indazole-5-carboxamide
CID 166628553
1-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CID 44469380
1-(3-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]indazole-4-carboxamide
CID 58138765
5-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)indazole-6-carboxamide
CID 176205064
(1-Methylindazol-5-yl)-(1-propyl-3-piperidyl)methanone
CID 121479159
1-Methyl-1H-indazole-4-carbaldehyde
CID 37818471
1-Methyl-1H-indazole-5-carboxaldehyde
CID 37818594

Frequently Asked Questions

What is the IUPAC name of 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-5-carbaldehyde?
The IUPAC name of 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-5-carbaldehyde (CID 86654538) is 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-5-carbaldehyde.
What is the SMILES notation for 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-5-carbaldehyde?
The canonical SMILES for 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-5-carbaldehyde is O=Cc1ccc2c(cnn2Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1.
What is the InChIKey of 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-5-carbaldehyde?
The InChIKey is KGEKYNHGJNDZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N2O/c18-16(19,20)13-3-2-11(14(6-13)17(21,22)23)8-25-15-4-1-10(9-26)5-12(15)7-24-25/h1-7,9H,8H2.
What are the key properties of 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-5-carbaldehyde?
1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-5-carbaldehyde has a molecular weight of 372.27 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indazole-5-carbaldehyde is sourced from PubChem (CID 86654538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).