Basic information
- Standard SMILES
CC(=O)CC(=O)Nc1ccc2[nH]nc(C)c2c1- InChIKey
KCSHRJYIGVJBAQ-UHFFFAOYSA-N- Molecular formula
- C12H13N3O2
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.10077667
Names & identifiers
- Preferred name
- n-(3-Methyl-1h-indazol-5-yl)-3-oxobutanamide
- IUPAC
- N-(3-methyl-2H-indazol-5-yl)-3-oxobutanamide
Names & synonyms
SCHEMBL4504226KCSHRJYIGVJBAQ-UHFFFAOYSA-Nn-(3-methyl-1h-indazol-5-yl)-3-oxobutanamide
Database identifiers
- PubChem CID
- 86018704
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 319
Related reactions
1 records
Compound notes
Loading…