6-phenyl-1,5,6,7-tetrahydroindazol-4-one

C13H12N2O — CID 6458957

IUPAC6-phenyl-1,5,6,7-tetrahydroindazol-4-one
SMILESO=C1CC(c2ccccc2)Cc2[nH]ncc21
InChIInChI=1S/C13H12N2O/c16-13-7-10(9-4-2-1-3-5-9)6-12-11(13)8-14-15-12/h1-5,8,10H,6-7H2,(H,14,15)
InChIKeyGEHQJOHVFOXESF-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.32
Rot. Bonds1

About 6-phenyl-1,5,6,7-tetrahydroindazol-4-one

6-phenyl-1,5,6,7-tetrahydroindazol-4-one (PubChem CID 6458957) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 6-phenyl-1,5,6,7-tetrahydroindazol-4-one.

Molecular Properties

Compound Name6-phenyl-1,5,6,7-tetrahydroindazol-4-one
PubChem CID6458957
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name6-phenyl-1,5,6,7-tetrahydroindazol-4-one
SMILESO=C1CC(c2ccccc2)Cc2[nH]ncc21
InChIInChI=1S/C13H12N2O/c16-13-7-10(9-4-2-1-3-5-9)6-12-11(13)8-14-15-12/h1-5,8,10H,6-7H2,(H,14,15)
InChIKeyGEHQJOHVFOXESF-UHFFFAOYSA-N
XLogP2.32
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-1,5,6,7-tetrahydroindazol-4-one?
The IUPAC name of 6-phenyl-1,5,6,7-tetrahydroindazol-4-one (CID 6458957) is 6-phenyl-1,5,6,7-tetrahydroindazol-4-one.
What is the SMILES notation for 6-phenyl-1,5,6,7-tetrahydroindazol-4-one?
The canonical SMILES for 6-phenyl-1,5,6,7-tetrahydroindazol-4-one is O=C1CC(c2ccccc2)Cc2[nH]ncc21.
What is the InChIKey of 6-phenyl-1,5,6,7-tetrahydroindazol-4-one?
The InChIKey is GEHQJOHVFOXESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c16-13-7-10(9-4-2-1-3-5-9)6-12-11(13)8-14-15-12/h1-5,8,10H,6-7H2,(H,14,15).
What are the key properties of 6-phenyl-1,5,6,7-tetrahydroindazol-4-one?
6-phenyl-1,5,6,7-tetrahydroindazol-4-one has a molecular weight of 212.25 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-1,5,6,7-tetrahydroindazol-4-one is sourced from PubChem (CID 6458957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).