6-(5-methylfuran-2-yl)-3-phenyl-1,5,6,7-tetrahydroindazol-4-one

C18H16N2O2 — CID 71668717

IUPAC6-(5-methylfuran-2-yl)-3-phenyl-1,5,6,7-tetrahydroindazol-4-one
SMILESCc1ccc(C2CC(=O)c3c(-c4ccccc4)n[nH]c3C2)o1
InChIInChI=1S/C18H16N2O2/c1-11-7-8-16(22-11)13-9-14-17(15(21)10-13)18(20-19-14)12-5-3-2-4-6-12/h2-8,13H,9-10H2,1H3,(H,19,20)
InChIKeyHSZPXSHARFKNLX-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.89
Rot. Bonds2

About 6-(5-methylfuran-2-yl)-3-phenyl-1,5,6,7-tetrahydroindazol-4-one

6-(5-methylfuran-2-yl)-3-phenyl-1,5,6,7-tetrahydroindazol-4-one (PubChem CID 71668717) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-(5-methylfuran-2-yl)-3-phenyl-1,5,6,7-tetrahydroindazol-4-one.

Molecular Properties

Compound Name6-(5-methylfuran-2-yl)-3-phenyl-1,5,6,7-tetrahydroindazol-4-one
PubChem CID71668717
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name6-(5-methylfuran-2-yl)-3-phenyl-1,5,6,7-tetrahydroindazol-4-one
SMILESCc1ccc(C2CC(=O)c3c(-c4ccccc4)n[nH]c3C2)o1
InChIInChI=1S/C18H16N2O2/c1-11-7-8-16(22-11)13-9-14-17(15(21)10-13)18(20-19-14)12-5-3-2-4-6-12/h2-8,13H,9-10H2,1H3,(H,19,20)
InChIKeyHSZPXSHARFKNLX-UHFFFAOYSA-N
XLogP3.89
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methylfuran-2-yl)-3-phenyl-1,5,6,7-tetrahydroindazol-4-one?
The IUPAC name of 6-(5-methylfuran-2-yl)-3-phenyl-1,5,6,7-tetrahydroindazol-4-one (CID 71668717) is 6-(5-methylfuran-2-yl)-3-phenyl-1,5,6,7-tetrahydroindazol-4-one.
What is the SMILES notation for 6-(5-methylfuran-2-yl)-3-phenyl-1,5,6,7-tetrahydroindazol-4-one?
The canonical SMILES for 6-(5-methylfuran-2-yl)-3-phenyl-1,5,6,7-tetrahydroindazol-4-one is Cc1ccc(C2CC(=O)c3c(-c4ccccc4)n[nH]c3C2)o1.
What is the InChIKey of 6-(5-methylfuran-2-yl)-3-phenyl-1,5,6,7-tetrahydroindazol-4-one?
The InChIKey is HSZPXSHARFKNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-11-7-8-16(22-11)13-9-14-17(15(21)10-13)18(20-19-14)12-5-3-2-4-6-12/h2-8,13H,9-10H2,1H3,(H,19,20).
What are the key properties of 6-(5-methylfuran-2-yl)-3-phenyl-1,5,6,7-tetrahydroindazol-4-one?
6-(5-methylfuran-2-yl)-3-phenyl-1,5,6,7-tetrahydroindazol-4-one has a molecular weight of 292.34 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methylfuran-2-yl)-3-phenyl-1,5,6,7-tetrahydroindazol-4-one is sourced from PubChem (CID 71668717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).