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

C11H13N3O2 — CID 11252966

IUPAC3-oxo-N-propyl-1H-indazole-2-carboxamide
SMILESCCCNC(=O)n1[nH]c2ccccc2c1=O
InChIInChI=1S/C11H13N3O2/c1-2-7-12-11(16)14-10(15)8-5-3-4-6-9(8)13-14/h3-6,13H,2,7H2,1H3,(H,12,16)
InChIKeyMBDLOFIBYPSJKP-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.30
Rot. Bonds2

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

3-oxo-N-propyl-1H-indazole-2-carboxamide (PubChem CID 11252966) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-oxo-N-propyl-1H-indazole-2-carboxamide.

Molecular Properties

Compound Name3-oxo-N-propyl-1H-indazole-2-carboxamide
PubChem CID11252966
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name3-oxo-N-propyl-1H-indazole-2-carboxamide
SMILESCCCNC(=O)n1[nH]c2ccccc2c1=O
InChIInChI=1S/C11H13N3O2/c1-2-7-12-11(16)14-10(15)8-5-3-4-6-9(8)13-14/h3-6,13H,2,7H2,1H3,(H,12,16)
InChIKeyMBDLOFIBYPSJKP-UHFFFAOYSA-N
XLogP1.30
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-oxo-N-propyl-1H-indazole-2-carboxamide?
The IUPAC name of 3-oxo-N-propyl-1H-indazole-2-carboxamide (CID 11252966) is 3-oxo-N-propyl-1H-indazole-2-carboxamide.
What is the SMILES notation for 3-oxo-N-propyl-1H-indazole-2-carboxamide?
The canonical SMILES for 3-oxo-N-propyl-1H-indazole-2-carboxamide is CCCNC(=O)n1[nH]c2ccccc2c1=O.
What is the InChIKey of 3-oxo-N-propyl-1H-indazole-2-carboxamide?
The InChIKey is MBDLOFIBYPSJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-7-12-11(16)14-10(15)8-5-3-4-6-9(8)13-14/h3-6,13H,2,7H2,1H3,(H,12,16).
What are the key properties of 3-oxo-N-propyl-1H-indazole-2-carboxamide?
3-oxo-N-propyl-1H-indazole-2-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-propyl-1H-indazole-2-carboxamide is sourced from PubChem (CID 11252966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).