1-Isobutyl-5-methyl-1H-pyrazole-4-carbaldehyde
Basic information
- CAS
1006495-92-6- Standard SMILES
Cc1c(C=O)cnn1CC(C)C- InChIKey
UQGZGOLSODCQDS-UHFFFAOYSA-N- Molecular formula
- C9H14N2O
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.11061307
Names & identifiers
- Preferred name
- 1-Isobutyl-5-methyl-1H-pyrazole-4-carbaldehyde
- IUPAC
- 5-methyl-1-(2-methylpropyl)pyrazole-4-carbaldehyde
Names & synonyms
1-ISOBUTYL-5-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE1006495-92-65-methyl-1-(2-methylpropyl)-1H-pyrazole-4-carbaldehyde5-Methyl-1-(2-methylpropyl)-1H-pyrazole-4-carboxaldehydeDTXSID801199682
Database identifiers
- CAS
1006495-92-6- PubChem CID
- 19620101
- DTXSID
DTXSID801199682
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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