3-oxo-N-pentyl-1,2-dihydroindazole-4-carboxamide

C13H17N3O2 — CID 14898748

IUPAC3-oxo-N-pentyl-1,2-dihydroindazole-4-carboxamide
SMILESCCCCCNC(=O)c1cccc2[nH][nH]c(=O)c12
InChIInChI=1S/C13H17N3O2/c1-2-3-4-8-14-12(17)9-6-5-7-10-11(9)13(18)16-15-10/h5-7H,2-4,8H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyJIAUOUASSSLCHX-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.78
Rot. Bonds5

About 3-oxo-N-pentyl-1,2-dihydroindazole-4-carboxamide

3-oxo-N-pentyl-1,2-dihydroindazole-4-carboxamide (PubChem CID 14898748) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-oxo-N-pentyl-1,2-dihydroindazole-4-carboxamide.

Molecular Properties

Compound Name3-oxo-N-pentyl-1,2-dihydroindazole-4-carboxamide
PubChem CID14898748
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-oxo-N-pentyl-1,2-dihydroindazole-4-carboxamide
SMILESCCCCCNC(=O)c1cccc2[nH][nH]c(=O)c12
InChIInChI=1S/C13H17N3O2/c1-2-3-4-8-14-12(17)9-6-5-7-10-11(9)13(18)16-15-10/h5-7H,2-4,8H2,1H3,(H,14,17)(H2,15,16,18)
InChIKeyJIAUOUASSSLCHX-UHFFFAOYSA-N
XLogP1.78
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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 3-oxo-N-pentyl-1,2-dihydroindazole-4-carboxamide?
The IUPAC name of 3-oxo-N-pentyl-1,2-dihydroindazole-4-carboxamide (CID 14898748) is 3-oxo-N-pentyl-1,2-dihydroindazole-4-carboxamide.
What is the SMILES notation for 3-oxo-N-pentyl-1,2-dihydroindazole-4-carboxamide?
The canonical SMILES for 3-oxo-N-pentyl-1,2-dihydroindazole-4-carboxamide is CCCCCNC(=O)c1cccc2[nH][nH]c(=O)c12.
What is the InChIKey of 3-oxo-N-pentyl-1,2-dihydroindazole-4-carboxamide?
The InChIKey is JIAUOUASSSLCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-3-4-8-14-12(17)9-6-5-7-10-11(9)13(18)16-15-10/h5-7H,2-4,8H2,1H3,(H,14,17)(H2,15,16,18).
What are the key properties of 3-oxo-N-pentyl-1,2-dihydroindazole-4-carboxamide?
3-oxo-N-pentyl-1,2-dihydroindazole-4-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-pentyl-1,2-dihydroindazole-4-carboxamide is sourced from PubChem (CID 14898748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).