N-naphthalen-1-yl-1-pentylindazole-3-carboxamide

C23H23N3O — CID 119058030

IUPACN-naphthalen-1-yl-1-pentylindazole-3-carboxamide
SMILESCCCCCn1nc(C(=O)Nc2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C23H23N3O/c1-2-3-8-16-26-21-15-7-6-13-19(21)22(25-26)23(27)24-20-14-9-11-17-10-4-5-12-18(17)20/h4-7,9-15H,2-3,8,16H2,1H3,(H,24,27)
InChIKeyUJKHLVOEXULDRU-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.63
Rot. Bonds6

About N-naphthalen-1-yl-1-pentylindazole-3-carboxamide

N-naphthalen-1-yl-1-pentylindazole-3-carboxamide (PubChem CID 119058030) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-naphthalen-1-yl-1-pentylindazole-3-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-1-pentylindazole-3-carboxamide
PubChem CID119058030
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC NameN-naphthalen-1-yl-1-pentylindazole-3-carboxamide
SMILESCCCCCn1nc(C(=O)Nc2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C23H23N3O/c1-2-3-8-16-26-21-15-7-6-13-19(21)22(25-26)23(27)24-20-14-9-11-17-10-4-5-12-18(17)20/h4-7,9-15H,2-3,8,16H2,1H3,(H,24,27)
InChIKeyUJKHLVOEXULDRU-UHFFFAOYSA-N
XLogP5.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.63
H-Bond Donors ≤ 51
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 N-naphthalen-1-yl-1-pentylindazole-3-carboxamide?
The IUPAC name of N-naphthalen-1-yl-1-pentylindazole-3-carboxamide (CID 119058030) is N-naphthalen-1-yl-1-pentylindazole-3-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-1-pentylindazole-3-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-1-pentylindazole-3-carboxamide is CCCCCn1nc(C(=O)Nc2cccc3ccccc23)c2ccccc21.
What is the InChIKey of N-naphthalen-1-yl-1-pentylindazole-3-carboxamide?
The InChIKey is UJKHLVOEXULDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-2-3-8-16-26-21-15-7-6-13-19(21)22(25-26)23(27)24-20-14-9-11-17-10-4-5-12-18(17)20/h4-7,9-15H,2-3,8,16H2,1H3,(H,24,27).
What are the key properties of N-naphthalen-1-yl-1-pentylindazole-3-carboxamide?
N-naphthalen-1-yl-1-pentylindazole-3-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-1-pentylindazole-3-carboxamide is sourced from PubChem (CID 119058030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).