4-(2-aminophenyl)-5-(4-chlorobutyl)-1-propyl-1H-pyrazole-3-carbonitrile

HCID 66958882
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Basic information

Standard SMILES
CCCn1nc(C#N)c(-c2ccccc2N)c1CCCCCl
InChIKey
QDAYWILMWBVZDO-UHFFFAOYSA-N
Molecular formula
C17H21ClN4
Average molar mass
316.8 g/mol

Names & identifiers

Preferred name
4-(2-aminophenyl)-5-(4-chlorobutyl)-1-propyl-1H-pyrazole-3-carbonitrile
IUPAC
4-(2-aminophenyl)-5-(4-chlorobutyl)-1-propylpyrazole-3-carbonitrile

Names & synonyms

SCHEMBL1234069QDAYWILMWBVZDO-UHFFFAOYSA-N4-(2-aminophenyl)-5-(4-chlorobutyl)-1-propyl-1H-pyrazole-3-carbonitrile

Database identifiers

PubChem CID
66958882

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
67.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
7
Heavy atoms
22

Related reactions

7 records
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Compound notes

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