3-oxo-N-pentyl-1H-indazole-2-carboxamide

C13H17N3O2 — CID 11322587

IUPAC3-oxo-N-pentyl-1H-indazole-2-carboxamide
SMILESCCCCCNC(=O)n1[nH]c2ccccc2c1=O
InChIInChI=1S/C13H17N3O2/c1-2-3-6-9-14-13(18)16-12(17)10-7-4-5-8-11(10)15-16/h4-5,7-8,15H,2-3,6,9H2,1H3,(H,14,18)
InChIKeyPAMLYFRUISBETG-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.08
Rot. Bonds4

About 3-oxo-N-pentyl-1H-indazole-2-carboxamide

3-oxo-N-pentyl-1H-indazole-2-carboxamide (PubChem CID 11322587) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-oxo-N-pentyl-1H-indazole-2-carboxamide.

Molecular Properties

Compound Name3-oxo-N-pentyl-1H-indazole-2-carboxamide
PubChem CID11322587
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-oxo-N-pentyl-1H-indazole-2-carboxamide
SMILESCCCCCNC(=O)n1[nH]c2ccccc2c1=O
InChIInChI=1S/C13H17N3O2/c1-2-3-6-9-14-13(18)16-12(17)10-7-4-5-8-11(10)15-16/h4-5,7-8,15H,2-3,6,9H2,1H3,(H,14,18)
InChIKeyPAMLYFRUISBETG-UHFFFAOYSA-N
XLogP2.08
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-pentyl-1H-indazole-2-carboxamide?
The IUPAC name of 3-oxo-N-pentyl-1H-indazole-2-carboxamide (CID 11322587) is 3-oxo-N-pentyl-1H-indazole-2-carboxamide.
What is the SMILES notation for 3-oxo-N-pentyl-1H-indazole-2-carboxamide?
The canonical SMILES for 3-oxo-N-pentyl-1H-indazole-2-carboxamide is CCCCCNC(=O)n1[nH]c2ccccc2c1=O.
What is the InChIKey of 3-oxo-N-pentyl-1H-indazole-2-carboxamide?
The InChIKey is PAMLYFRUISBETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-3-6-9-14-13(18)16-12(17)10-7-4-5-8-11(10)15-16/h4-5,7-8,15H,2-3,6,9H2,1H3,(H,14,18).
What are the key properties of 3-oxo-N-pentyl-1H-indazole-2-carboxamide?
3-oxo-N-pentyl-1H-indazole-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-pentyl-1H-indazole-2-carboxamide is sourced from PubChem (CID 11322587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).