4-bromo-5-(4-chlorobutyl)-1-methyl-1H-pyrazole-3-carbonitrile

HCID 66958992
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Basic information

Standard SMILES
Cn1nc(C#N)c(Br)c1CCCCCl
InChIKey
JJURIXRBPGQFKV-UHFFFAOYSA-N
Molecular formula
C9H11BrClN3
Average molar mass
276.56 g/mol

Names & identifiers

Preferred name
4-bromo-5-(4-chlorobutyl)-1-methyl-1H-pyrazole-3-carbonitrile
IUPAC
4-bromo-5-(4-chlorobutyl)-1-methylpyrazole-3-carbonitrile

Names & synonyms

SCHEMBL1234280JJURIXRBPGQFKV-UHFFFAOYSA-N4-bromo-5-(4-chlorobutyl)-1-methyl-1H-pyrazole-3-carbonitrile

Database identifiers

PubChem CID
66958992

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
41.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
14

Related reactions

6 records
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Compound notes

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