Basic information
- Standard SMILES
Cc1c(C=O)cnn1C(C)(C)C- InChIKey
UKOJNMDJPSMXFG-UHFFFAOYSA-N- Molecular formula
- C9H14N2O
- Average molar mass
- 166.22 g/mol
Names & identifiers
- Preferred name
- 1-tert-Butyl-5-methyl-1H-pyrazole-4-carbaldehyde
- IUPAC
- 1-tert-butyl-5-methylpyrazole-4-carbaldehyde
Names & synonyms
1-tert-Butyl-5-methyl-1H-pyrazole-4-carbaldehydeSCHEMBL4034381UKOJNMDJPSMXFG-UHFFFAOYSA-NMFCD16042636AKOS0100861821247907-79-4
Database identifiers
- PubChem CID
- 21097249
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Related reactions
2 records
Compound notes
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