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

C15H14N2O — CID 14898714

IUPAC2-(2-phenylethyl)-1H-indazol-3-one
SMILESO=c1c2ccccc2[nH]n1CCc1ccccc1
InChIInChI=1S/C15H14N2O/c18-15-13-8-4-5-9-14(13)16-17(15)11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKeyHCKFBGZZOSOLAC-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.57
Rot. Bonds3

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

2-(2-phenylethyl)-1H-indazol-3-one (PubChem CID 14898714) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(2-phenylethyl)-1H-indazol-3-one.

Molecular Properties

Compound Name2-(2-phenylethyl)-1H-indazol-3-one
PubChem CID14898714
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-(2-phenylethyl)-1H-indazol-3-one
SMILESO=c1c2ccccc2[nH]n1CCc1ccccc1
InChIInChI=1S/C15H14N2O/c18-15-13-8-4-5-9-14(13)16-17(15)11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2
InChIKeyHCKFBGZZOSOLAC-UHFFFAOYSA-N
XLogP2.57
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.57
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-(2-phenylethyl)-1H-indazol-3-one?
The IUPAC name of 2-(2-phenylethyl)-1H-indazol-3-one (CID 14898714) is 2-(2-phenylethyl)-1H-indazol-3-one.
What is the SMILES notation for 2-(2-phenylethyl)-1H-indazol-3-one?
The canonical SMILES for 2-(2-phenylethyl)-1H-indazol-3-one is O=c1c2ccccc2[nH]n1CCc1ccccc1.
What is the InChIKey of 2-(2-phenylethyl)-1H-indazol-3-one?
The InChIKey is HCKFBGZZOSOLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c18-15-13-8-4-5-9-14(13)16-17(15)11-10-12-6-2-1-3-7-12/h1-9,16H,10-11H2.
What are the key properties of 2-(2-phenylethyl)-1H-indazol-3-one?
2-(2-phenylethyl)-1H-indazol-3-one has a molecular weight of 238.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-1H-indazol-3-one is sourced from PubChem (CID 14898714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).