Basic information
- Standard SMILES
CC(C)(C)c1cc(C(=O)O)nn1-c1cccc(-c2ccccc2Cl)c1- InChIKey
JIOUIIXHMNSGMI-UHFFFAOYSA-N- Molecular formula
- C20H19ClN2O2
- Average molar mass
- 354.8 g/mol
Names & identifiers
- Preferred name
- 5-tert-butyl-1-(2'-chloro-1,1'-biphenyl-3-yl)-1H-pyrazole-3-carboxylic acid
- IUPAC
- 5-tert-butyl-1-[3-(2-chlorophenyl)phenyl]pyrazole-3-carboxylic acid
Names & synonyms
SCHEMBL4504962JIOUIIXHMNSGMI-UHFFFAOYSA-N5-tert-butyl-1-(2'-chloro-1,1'-biphenyl-3-yl)-1H-pyrazole-3-carboxylic acid
Database identifiers
- PubChem CID
- 11279690
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 479
Related reactions
2 records
Compound notes
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