6-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one

C19H15FN2O — CID 6472445

IUPAC6-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CC(c2ccc(F)cc2)Cc2c1cnn2-c1ccccc1
InChIInChI=1S/C19H15FN2O/c20-15-8-6-13(7-9-15)14-10-18-17(19(23)11-14)12-21-22(18)16-4-2-1-3-5-16/h1-9,12,14H,10-11H2
InChIKeyOEZRUTXLWHEVML-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.92
Rot. Bonds2

About 6-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one

6-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 6472445) has the molecular formula C19H15FN2O and a molecular weight of 306.34 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one
PubChem CID6472445
Molecular FormulaC19H15FN2O
Molecular Weight306.34 g/mol
Exact Mass306.12
IUPAC Name6-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CC(c2ccc(F)cc2)Cc2c1cnn2-c1ccccc1
InChIInChI=1S/C19H15FN2O/c20-15-8-6-13(7-9-15)14-10-18-17(19(23)11-14)12-21-22(18)16-4-2-1-3-5-16/h1-9,12,14H,10-11H2
InChIKeyOEZRUTXLWHEVML-UHFFFAOYSA-N
XLogP3.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 6-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one (CID 6472445) is 6-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 6-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 6-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one is O=C1CC(c2ccc(F)cc2)Cc2c1cnn2-c1ccccc1.
What is the InChIKey of 6-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is OEZRUTXLWHEVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O/c20-15-8-6-13(7-9-15)14-10-18-17(19(23)11-14)12-21-22(18)16-4-2-1-3-5-16/h1-9,12,14H,10-11H2.
What are the key properties of 6-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one?
6-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 306.34 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-1-phenyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 6472445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).