Basic information
- CAS
1152932-62-1- Standard SMILES
CCc1ccc(-c2nn(C(C)(C)C)cc2C(=O)O)cc1- InChIKey
FGOZSJIGLQUDLI-UHFFFAOYSA-N- Molecular formula
- C16H20N2O2
- Average molar mass
- 272.34 g/mol
- Monoisotopic mass
- 272.15247789
Names & identifiers
- Preferred name
- 1-(1,1-Dimethylethyl)-3-(4-ethylphenyl)-1H-pyrazole-4-carboxylic acid
- IUPAC
- 1-tert-butyl-3-(4-ethylphenyl)pyrazole-4-carboxylic acid
Names & synonyms
DTXSID8011565391-(1,1-Dimethylethyl)-3-(4-ethylphenyl)-1H-pyrazole-4-carboxylic acid1152932-62-11-tert-Butyl-3-(4-ethylphenyl)-1H-pyrazole-4-carboxylic acid
Database identifiers
- CAS
1152932-62-1- PubChem CID
- 39095969
- DTXSID
DTXSID801156539
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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