naphthalen-1-yl-(1-pentylindazol-3-yl)methanone

C23H22N2O — CID 124518671

IUPACnaphthalen-1-yl-(1-pentylindazol-3-yl)methanone
SMILESCCCCCn1nc(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C23H22N2O/c1-2-3-8-16-25-21-15-7-6-13-20(21)22(24-25)23(26)19-14-9-11-17-10-4-5-12-18(17)19/h4-7,9-15H,2-3,8,16H2,1H3
InChIKeyVAKGBPSFDNTMDJ-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.61
Rot. Bonds6

About naphthalen-1-yl-(1-pentylindazol-3-yl)methanone

naphthalen-1-yl-(1-pentylindazol-3-yl)methanone (PubChem CID 124518671) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is naphthalen-1-yl-(1-pentylindazol-3-yl)methanone.

Molecular Properties

Compound Namenaphthalen-1-yl-(1-pentylindazol-3-yl)methanone
PubChem CID124518671
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Namenaphthalen-1-yl-(1-pentylindazol-3-yl)methanone
SMILESCCCCCn1nc(C(=O)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C23H22N2O/c1-2-3-8-16-25-21-15-7-6-13-20(21)22(24-25)23(26)19-14-9-11-17-10-4-5-12-18(17)19/h4-7,9-15H,2-3,8,16H2,1H3
InChIKeyVAKGBPSFDNTMDJ-UHFFFAOYSA-N
XLogP5.61
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl-(1-pentylindazol-3-yl)methanone?
The IUPAC name of naphthalen-1-yl-(1-pentylindazol-3-yl)methanone (CID 124518671) is naphthalen-1-yl-(1-pentylindazol-3-yl)methanone.
What is the SMILES notation for naphthalen-1-yl-(1-pentylindazol-3-yl)methanone?
The canonical SMILES for naphthalen-1-yl-(1-pentylindazol-3-yl)methanone is CCCCCn1nc(C(=O)c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of naphthalen-1-yl-(1-pentylindazol-3-yl)methanone?
The InChIKey is VAKGBPSFDNTMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-2-3-8-16-25-21-15-7-6-13-20(21)22(24-25)23(26)19-14-9-11-17-10-4-5-12-18(17)19/h4-7,9-15H,2-3,8,16H2,1H3.
What are the key properties of naphthalen-1-yl-(1-pentylindazol-3-yl)methanone?
naphthalen-1-yl-(1-pentylindazol-3-yl)methanone has a molecular weight of 342.44 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl-(1-pentylindazol-3-yl)methanone is sourced from PubChem (CID 124518671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).