Basic information
- Standard SMILES
Cc1ccccc1C1C(=O)NN(C(C)(C)C)C1N- InChIKey
UDFKWEMSMZNLAJ-UHFFFAOYSA-N- Molecular formula
- C14H21N3O
- Average molar mass
- 247.34 g/mol
Names & identifiers
- Preferred name
- 1-Tert-butyl-4-(2-methylphenyl)-5-amino-pyrazolin-3-one
- IUPAC
- 5-amino-1-tert-butyl-4-(2-methylphenyl)pyrazolidin-3-one
Names & synonyms
SCHEMBL6672475UDFKWEMSMZNLAJ-UHFFFAOYSA-N1-tert-butyl-4-(2-methylphenyl)-5-amino-pyrazolin-3-one
Database identifiers
- PubChem CID
- 69860491
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 323
Related reactions
2 records
Compound notes
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