3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanal

C24H21FN2O — CID 59251041

IUPAC3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanal
SMILESCC(C)(C=O)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C24H21FN2O/c1-24(2,16-28)23(17-6-4-3-5-7-17)18-8-13-22-19(14-18)15-26-27(22)21-11-9-20(25)10-12-21/h3-16,23H,1-2H3
InChIKeyGNZAXMGOEVXDSA-UHFFFAOYSA-N
MW372.44 g/mol
LogP5.52
Rot. Bonds5

About 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanal

3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanal (PubChem CID 59251041) has the molecular formula C24H21FN2O and a molecular weight of 372.44 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanal.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanal
PubChem CID59251041
Molecular FormulaC24H21FN2O
Molecular Weight372.44 g/mol
Exact Mass372.16
IUPAC Name3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanal
SMILESCC(C)(C=O)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C24H21FN2O/c1-24(2,16-28)23(17-6-4-3-5-7-17)18-8-13-22-19(14-18)15-26-27(22)21-11-9-20(25)10-12-21/h3-16,23H,1-2H3
InChIKeyGNZAXMGOEVXDSA-UHFFFAOYSA-N
XLogP5.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.44
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanal?
The IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanal (CID 59251041) is 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanal.
What is the SMILES notation for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanal?
The canonical SMILES for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanal is CC(C)(C=O)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanal?
The InChIKey is GNZAXMGOEVXDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN2O/c1-24(2,16-28)23(17-6-4-3-5-7-17)18-8-13-22-19(14-18)15-26-27(22)21-11-9-20(25)10-12-21/h3-16,23H,1-2H3.
What are the key properties of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanal?
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanal has a molecular weight of 372.44 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropanal is sourced from PubChem (CID 59251041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).