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

C13H12N2O — CID 10932759

IUPAC3-phenyl-1,5,6,7-tetrahydroindazol-4-one
SMILESO=C1CCCc2[nH]nc(-c3ccccc3)c21
InChIInChI=1S/C13H12N2O/c16-11-8-4-7-10-12(11)13(15-14-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,14,15)
InChIKeyAIBOXMAFFRVADJ-UHFFFAOYSA-N
MW212.25 g/mol
LogP2.60
Rot. Bonds1

About 3-phenyl-1,5,6,7-tetrahydroindazol-4-one

3-phenyl-1,5,6,7-tetrahydroindazol-4-one (PubChem CID 10932759) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-phenyl-1,5,6,7-tetrahydroindazol-4-one.

Molecular Properties

Compound Name3-phenyl-1,5,6,7-tetrahydroindazol-4-one
PubChem CID10932759
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name3-phenyl-1,5,6,7-tetrahydroindazol-4-one
SMILESO=C1CCCc2[nH]nc(-c3ccccc3)c21
InChIInChI=1S/C13H12N2O/c16-11-8-4-7-10-12(11)13(15-14-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,14,15)
InChIKeyAIBOXMAFFRVADJ-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,5,6,7-tetrahydroindazol-4-one?
The IUPAC name of 3-phenyl-1,5,6,7-tetrahydroindazol-4-one (CID 10932759) is 3-phenyl-1,5,6,7-tetrahydroindazol-4-one.
What is the SMILES notation for 3-phenyl-1,5,6,7-tetrahydroindazol-4-one?
The canonical SMILES for 3-phenyl-1,5,6,7-tetrahydroindazol-4-one is O=C1CCCc2[nH]nc(-c3ccccc3)c21.
What is the InChIKey of 3-phenyl-1,5,6,7-tetrahydroindazol-4-one?
The InChIKey is AIBOXMAFFRVADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c16-11-8-4-7-10-12(11)13(15-14-10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,14,15).
What are the key properties of 3-phenyl-1,5,6,7-tetrahydroindazol-4-one?
3-phenyl-1,5,6,7-tetrahydroindazol-4-one has a molecular weight of 212.25 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,5,6,7-tetrahydroindazol-4-one is sourced from PubChem (CID 10932759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).