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

C19H15FN2O — CID 3541772

IUPAC3-(4-fluorophenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2nn(-c3ccccc3)c(-c3ccc(F)cc3)c21
InChIInChI=1S/C19H15FN2O/c20-14-11-9-13(10-12-14)19-18-16(7-4-8-17(18)23)21-22(19)15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8H2
InChIKeyYHBJSXWCQWCLFZ-UHFFFAOYSA-N
MW306.34 g/mol
LogP4.20
Rot. Bonds2

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

3-(4-fluorophenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one (PubChem CID 3541772) has the molecular formula C19H15FN2O and a molecular weight of 306.34 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one
PubChem CID3541772
Molecular FormulaC19H15FN2O
Molecular Weight306.34 g/mol
Exact Mass306.12
IUPAC Name3-(4-fluorophenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one
SMILESO=C1CCCc2nn(-c3ccccc3)c(-c3ccc(F)cc3)c21
InChIInChI=1S/C19H15FN2O/c20-14-11-9-13(10-12-14)19-18-16(7-4-8-17(18)23)21-22(19)15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8H2
InChIKeyYHBJSXWCQWCLFZ-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 3-(4-fluorophenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one (CID 3541772) is 3-(4-fluorophenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 3-(4-fluorophenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 3-(4-fluorophenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one is O=C1CCCc2nn(-c3ccccc3)c(-c3ccc(F)cc3)c21.
What is the InChIKey of 3-(4-fluorophenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is YHBJSXWCQWCLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O/c20-14-11-9-13(10-12-14)19-18-16(7-4-8-17(18)23)21-22(19)15-5-2-1-3-6-15/h1-3,5-6,9-12H,4,7-8H2.
What are the key properties of 3-(4-fluorophenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one?
3-(4-fluorophenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 306.34 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-phenyl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 3541772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).