5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-(2,5-dimethylbenzoyl)-3-ethoxypyrazole

HCID 12972143
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Basic information

Standard SMILES
CCOc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1C(=O)c1cc(C)ccc1C
InChIKey
WSJPCOMVXPBBJB-UHFFFAOYSA-N
Molecular formula
C21H18Cl2F3N3O2
Average molar mass
472.3 g/mol
Monoisotopic mass
471.0728167

Names & identifiers

Preferred name
5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-(2,5-dimethylbenzoyl)-3-ethoxypyrazole
IUPAC
[5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-3-ethoxypyrazol-4-yl]-(2,5-dimethylphenyl)methanone

Names & synonyms

5-Amino-1-(2,6-dichloro-4-trifluoromethylphenyl)-4-(2,5-dimethylbenzoyl)-3-ethoxypyrazoleSCHEMBL7571632

Database identifiers

PubChem CID
12972143

Properties

Computed structural properties

XLogP
7
Topological polar surface area
70.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
31

Related reactions

4 records
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Compound notes

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