5-tert-butyl-4-chloro-2-methyl-2H-pyrazole-3-carboxylic acid [6-(2-chloro-phenyl)-3-nitro-pyridin-2-yl]-amide

HCID 67412451

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

Related reactions

6 records

Compound notes

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