2-(3-phenylpropyl)-1H-indazol-3-one

C16H16N2O — CID 14898717

IUPAC2-(3-phenylpropyl)-1H-indazol-3-one
SMILESO=c1c2ccccc2[nH]n1CCCc1ccccc1
InChIInChI=1S/C16H16N2O/c19-16-14-10-4-5-11-15(14)17-18(16)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11,17H,6,9,12H2
InChIKeyZTUNGCGUHQENHO-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.96
Rot. Bonds4

About 2-(3-phenylpropyl)-1H-indazol-3-one

2-(3-phenylpropyl)-1H-indazol-3-one (PubChem CID 14898717) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(3-phenylpropyl)-1H-indazol-3-one.

Molecular Properties

Compound Name2-(3-phenylpropyl)-1H-indazol-3-one
PubChem CID14898717
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-(3-phenylpropyl)-1H-indazol-3-one
SMILESO=c1c2ccccc2[nH]n1CCCc1ccccc1
InChIInChI=1S/C16H16N2O/c19-16-14-10-4-5-11-15(14)17-18(16)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11,17H,6,9,12H2
InChIKeyZTUNGCGUHQENHO-UHFFFAOYSA-N
XLogP2.96
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropyl)-1H-indazol-3-one?
The IUPAC name of 2-(3-phenylpropyl)-1H-indazol-3-one (CID 14898717) is 2-(3-phenylpropyl)-1H-indazol-3-one.
What is the SMILES notation for 2-(3-phenylpropyl)-1H-indazol-3-one?
The canonical SMILES for 2-(3-phenylpropyl)-1H-indazol-3-one is O=c1c2ccccc2[nH]n1CCCc1ccccc1.
What is the InChIKey of 2-(3-phenylpropyl)-1H-indazol-3-one?
The InChIKey is ZTUNGCGUHQENHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c19-16-14-10-4-5-11-15(14)17-18(16)12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11,17H,6,9,12H2.
What are the key properties of 2-(3-phenylpropyl)-1H-indazol-3-one?
2-(3-phenylpropyl)-1H-indazol-3-one has a molecular weight of 252.32 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)-1H-indazol-3-one is sourced from PubChem (CID 14898717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).