4-(4-fluorophenyl)-6-[[4-(2-methylpropyl)phenyl]methyl]-1,2,4,5-tetrahydroindazol-3-one

C24H25FN2O — CID 71595300

IUPAC4-(4-fluorophenyl)-6-[[4-(2-methylpropyl)phenyl]methyl]-1,2,4,5-tetrahydroindazol-3-one
SMILESCC(C)Cc1ccc(CC2=Cc3[nH][nH]c(=O)c3C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C24H25FN2O/c1-15(2)11-16-3-5-17(6-4-16)12-18-13-21(19-7-9-20(25)10-8-19)23-22(14-18)26-27-24(23)28/h3-10,14-15,21H,11-13H2,1-2H3,(H2,26,27,28)
InChIKeyKBEPXOVPQOCQGO-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.20
Rot. Bonds5

About 4-(4-fluorophenyl)-6-[[4-(2-methylpropyl)phenyl]methyl]-1,2,4,5-tetrahydroindazol-3-one

4-(4-fluorophenyl)-6-[[4-(2-methylpropyl)phenyl]methyl]-1,2,4,5-tetrahydroindazol-3-one (PubChem CID 71595300) has the molecular formula C24H25FN2O and a molecular weight of 376.48 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-[[4-(2-methylpropyl)phenyl]methyl]-1,2,4,5-tetrahydroindazol-3-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-[[4-(2-methylpropyl)phenyl]methyl]-1,2,4,5-tetrahydroindazol-3-one
PubChem CID71595300
Molecular FormulaC24H25FN2O
Molecular Weight376.48 g/mol
Exact Mass376.20
IUPAC Name4-(4-fluorophenyl)-6-[[4-(2-methylpropyl)phenyl]methyl]-1,2,4,5-tetrahydroindazol-3-one
SMILESCC(C)Cc1ccc(CC2=Cc3[nH][nH]c(=O)c3C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C24H25FN2O/c1-15(2)11-16-3-5-17(6-4-16)12-18-13-21(19-7-9-20(25)10-8-19)23-22(14-18)26-27-24(23)28/h3-10,14-15,21H,11-13H2,1-2H3,(H2,26,27,28)
InChIKeyKBEPXOVPQOCQGO-UHFFFAOYSA-N
XLogP5.20
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 4-(4-fluorophenyl)-6-[[4-(2-methylpropyl)phenyl]methyl]-1,2,4,5-tetrahydroindazol-3-one 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 4-(4-fluorophenyl)-6-[[4-(2-methylpropyl)phenyl]methyl]-1,2,4,5-tetrahydroindazol-3-one?
The IUPAC name of 4-(4-fluorophenyl)-6-[[4-(2-methylpropyl)phenyl]methyl]-1,2,4,5-tetrahydroindazol-3-one (CID 71595300) is 4-(4-fluorophenyl)-6-[[4-(2-methylpropyl)phenyl]methyl]-1,2,4,5-tetrahydroindazol-3-one.
What is the SMILES notation for 4-(4-fluorophenyl)-6-[[4-(2-methylpropyl)phenyl]methyl]-1,2,4,5-tetrahydroindazol-3-one?
The canonical SMILES for 4-(4-fluorophenyl)-6-[[4-(2-methylpropyl)phenyl]methyl]-1,2,4,5-tetrahydroindazol-3-one is CC(C)Cc1ccc(CC2=Cc3[nH][nH]c(=O)c3C(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-6-[[4-(2-methylpropyl)phenyl]methyl]-1,2,4,5-tetrahydroindazol-3-one?
The InChIKey is KBEPXOVPQOCQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O/c1-15(2)11-16-3-5-17(6-4-16)12-18-13-21(19-7-9-20(25)10-8-19)23-22(14-18)26-27-24(23)28/h3-10,14-15,21H,11-13H2,1-2H3,(H2,26,27,28).
What are the key properties of 4-(4-fluorophenyl)-6-[[4-(2-methylpropyl)phenyl]methyl]-1,2,4,5-tetrahydroindazol-3-one?
4-(4-fluorophenyl)-6-[[4-(2-methylpropyl)phenyl]methyl]-1,2,4,5-tetrahydroindazol-3-one has a molecular weight of 376.48 g/mol, XLogP of 5.20, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-[[4-(2-methylpropyl)phenyl]methyl]-1,2,4,5-tetrahydroindazol-3-one is sourced from PubChem (CID 71595300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).