3-(4-fluorophenyl)-5,6-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-4-one

C21H19FN2O — CID 3525174

IUPAC3-(4-fluorophenyl)-5,6-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESCC1Cc2nn(-c3ccccc3)c(-c3ccc(F)cc3)c2C(=O)C1C
InChIInChI=1S/C21H19FN2O/c1-13-12-18-19(21(25)14(13)2)20(15-8-10-16(22)11-9-15)24(23-18)17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3
InChIKeyXJEHDQSJBHXWSJ-UHFFFAOYSA-N
MW334.39 g/mol
LogP4.69
Rot. Bonds2

About 3-(4-fluorophenyl)-5,6-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-4-one

3-(4-fluorophenyl)-5,6-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 3525174) has the molecular formula C21H19FN2O and a molecular weight of 334.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5,6-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5,6-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-4-one
PubChem CID3525174
Molecular FormulaC21H19FN2O
Molecular Weight334.39 g/mol
Exact Mass334.15
IUPAC Name3-(4-fluorophenyl)-5,6-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESCC1Cc2nn(-c3ccccc3)c(-c3ccc(F)cc3)c2C(=O)C1C
InChIInChI=1S/C21H19FN2O/c1-13-12-18-19(21(25)14(13)2)20(15-8-10-16(22)11-9-15)24(23-18)17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3
InChIKeyXJEHDQSJBHXWSJ-UHFFFAOYSA-N
XLogP4.69
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)-5,6-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-4-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 3-(4-fluorophenyl)-5,6-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 3-(4-fluorophenyl)-5,6-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-4-one (CID 3525174) is 3-(4-fluorophenyl)-5,6-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-5,6-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-5,6-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-4-one is CC1Cc2nn(-c3ccccc3)c(-c3ccc(F)cc3)c2C(=O)C1C.
What is the InChIKey of 3-(4-fluorophenyl)-5,6-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is XJEHDQSJBHXWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O/c1-13-12-18-19(21(25)14(13)2)20(15-8-10-16(22)11-9-15)24(23-18)17-6-4-3-5-7-17/h3-11,13-14H,12H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-5,6-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-4-one?
3-(4-fluorophenyl)-5,6-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 334.39 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5,6-dimethyl-2-phenyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 3525174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).