6-(4-fluorophenyl)-4-phenyl-1,2,4,5-tetrahydroindazol-3-one

C19H15FN2O — CID 71570799

IUPAC6-(4-fluorophenyl)-4-phenyl-1,2,4,5-tetrahydroindazol-3-one
SMILESO=c1[nH][nH]c2c1C(c1ccccc1)CC(c1ccc(F)cc1)=C2
InChIInChI=1S/C19H15FN2O/c20-15-8-6-12(7-9-15)14-10-16(13-4-2-1-3-5-13)18-17(11-14)21-22-19(18)23/h1-9,11,16H,10H2,(H2,21,22,23)
InChIKeyCWTFHGKITHGPEK-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.92
Rot. Bonds2

About 6-(4-fluorophenyl)-4-phenyl-1,2,4,5-tetrahydroindazol-3-one

6-(4-fluorophenyl)-4-phenyl-1,2,4,5-tetrahydroindazol-3-one (PubChem CID 71570799) has the molecular formula C19H15FN2O and a molecular weight of 306.34 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-phenyl-1,2,4,5-tetrahydroindazol-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-phenyl-1,2,4,5-tetrahydroindazol-3-one
PubChem CID71570799
Molecular FormulaC19H15FN2O
Molecular Weight306.34 g/mol
Exact Mass306.12
IUPAC Name6-(4-fluorophenyl)-4-phenyl-1,2,4,5-tetrahydroindazol-3-one
SMILESO=c1[nH][nH]c2c1C(c1ccccc1)CC(c1ccc(F)cc1)=C2
InChIInChI=1S/C19H15FN2O/c20-15-8-6-12(7-9-15)14-10-16(13-4-2-1-3-5-13)18-17(11-14)21-22-19(18)23/h1-9,11,16H,10H2,(H2,21,22,23)
InChIKeyCWTFHGKITHGPEK-UHFFFAOYSA-N
XLogP3.92
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-phenyl-1,2,4,5-tetrahydroindazol-3-one?
The IUPAC name of 6-(4-fluorophenyl)-4-phenyl-1,2,4,5-tetrahydroindazol-3-one (CID 71570799) is 6-(4-fluorophenyl)-4-phenyl-1,2,4,5-tetrahydroindazol-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-4-phenyl-1,2,4,5-tetrahydroindazol-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-4-phenyl-1,2,4,5-tetrahydroindazol-3-one is O=c1[nH][nH]c2c1C(c1ccccc1)CC(c1ccc(F)cc1)=C2.
What is the InChIKey of 6-(4-fluorophenyl)-4-phenyl-1,2,4,5-tetrahydroindazol-3-one?
The InChIKey is CWTFHGKITHGPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O/c20-15-8-6-12(7-9-15)14-10-16(13-4-2-1-3-5-13)18-17(11-14)21-22-19(18)23/h1-9,11,16H,10H2,(H2,21,22,23).
What are the key properties of 6-(4-fluorophenyl)-4-phenyl-1,2,4,5-tetrahydroindazol-3-one?
6-(4-fluorophenyl)-4-phenyl-1,2,4,5-tetrahydroindazol-3-one has a molecular weight of 306.34 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-phenyl-1,2,4,5-tetrahydroindazol-3-one is sourced from PubChem (CID 71570799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).