2-(naphthalen-1-ylmethyl)-1H-indazol-3-one

C18H14N2O — CID 14898710

IUPAC2-(naphthalen-1-ylmethyl)-1H-indazol-3-one
SMILESO=c1c2ccccc2[nH]n1Cc1cccc2ccccc12
InChIInChI=1S/C18H14N2O/c21-18-16-10-3-4-11-17(16)19-20(18)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11,19H,12H2
InChIKeySXKBSXCUDSHBDF-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.53
Rot. Bonds2

About 2-(naphthalen-1-ylmethyl)-1H-indazol-3-one

2-(naphthalen-1-ylmethyl)-1H-indazol-3-one (PubChem CID 14898710) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(naphthalen-1-ylmethyl)-1H-indazol-3-one.

Molecular Properties

Compound Name2-(naphthalen-1-ylmethyl)-1H-indazol-3-one
PubChem CID14898710
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name2-(naphthalen-1-ylmethyl)-1H-indazol-3-one
SMILESO=c1c2ccccc2[nH]n1Cc1cccc2ccccc12
InChIInChI=1S/C18H14N2O/c21-18-16-10-3-4-11-17(16)19-20(18)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11,19H,12H2
InChIKeySXKBSXCUDSHBDF-UHFFFAOYSA-N
XLogP3.53
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.53
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-(naphthalen-1-ylmethyl)-1H-indazol-3-one?
The IUPAC name of 2-(naphthalen-1-ylmethyl)-1H-indazol-3-one (CID 14898710) is 2-(naphthalen-1-ylmethyl)-1H-indazol-3-one.
What is the SMILES notation for 2-(naphthalen-1-ylmethyl)-1H-indazol-3-one?
The canonical SMILES for 2-(naphthalen-1-ylmethyl)-1H-indazol-3-one is O=c1c2ccccc2[nH]n1Cc1cccc2ccccc12.
What is the InChIKey of 2-(naphthalen-1-ylmethyl)-1H-indazol-3-one?
The InChIKey is SXKBSXCUDSHBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c21-18-16-10-3-4-11-17(16)19-20(18)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11,19H,12H2.
What are the key properties of 2-(naphthalen-1-ylmethyl)-1H-indazol-3-one?
2-(naphthalen-1-ylmethyl)-1H-indazol-3-one has a molecular weight of 274.32 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-1-ylmethyl)-1H-indazol-3-one is sourced from PubChem (CID 14898710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).