Basic information
- Standard SMILES
Cn1nc(C(C)(C)C)c(Cl)c1C(=O)Nc1nc(-c2ccccc2Cl)ccc1[N+](=O)[O-]- InChIKey
IUNBWSXUEWTEKM-UHFFFAOYSA-N- Molecular formula
- C20H19Cl2N5O3
- Average molar mass
- 448.3 g/mol
Names & identifiers
- Preferred name
- 5-tert-butyl-4-chloro-2-methyl-2H-pyrazole-3-carboxylic acid [6-(2-chloro-phenyl)-3-nitro-pyridin-2-yl]-amide
- IUPAC
- 3-tert-butyl-4-chloro-N-[6-(2-chlorophenyl)-3-nitro-2-pyridinyl]-1-methylpyrazole-5-carboxamide
Names & synonyms
SCHEMBL2448276IUNBWSXUEWTEKM-UHFFFAOYSA-N5-tert-butyl-4-chloro-2-methyl-2H-pyrazole-3-carboxylic acid [6-(2-chloro-phenyl)-3-nitro-pyridin-2-yl]-amide
Database identifiers
- PubChem CID
- 67412451
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 641
Related reactions
6 records
Compound notes
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