1-(5-Amino-2-chlorophenyl)-4-(4-bromo-2-fluorobenzyl)-3-n-butyl-1H-pyrazole-5-carbonitrile

HCID 19783151
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Basic information

Standard SMILES
CCCCc1nn(-c2cc(N)ccc2Cl)c(C#N)c1Cc1ccc(Br)cc1F
InChIKey
YICPTJWUWLHGMK-UHFFFAOYSA-N
Molecular formula
C21H19BrClFN4
Average molar mass
461.8 g/mol
Monoisotopic mass
460.04657

Names & identifiers

Preferred name
1-(5-Amino-2-chlorophenyl)-4-(4-bromo-2-fluorobenzyl)-3-n-butyl-1H-pyrazole-5-carbonitrile
IUPAC
1-(5-amino-2-chlorophenyl)-4-[(4-bromo-2-fluorophenyl)methyl]-3-butylpyrazole-5-carbonitrile

Names & synonyms

SCHEMBL9593961YICPTJWUWLHGMK-UHFFFAOYSA-N1-(5-Amino-2-chlorophenyl)-4-(4-bromo-2-fluorobenzyl)-3-n-butyl-1H-pyrazole-5-carbonitrile

Database identifiers

PubChem CID
19783151

Properties

Computed structural properties

XLogP
6.3
Topological polar surface area
67.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
28

Related reactions

2 records
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Compound notes

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