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Compound
4-[3-Phenylmethoxy-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]benzamide
HCID
67014579
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Basic information
Standard SMILES
NC(=O)c1ccc(-c2cn(CCN3CCCCC3)nc2OCc2ccccc2)cc1
InChIKey
HWVXCEYOXKDJDR-UHFFFAOYSA-N
Molecular formula
C24H28N4O2
Average molar mass
404.5 g/mol
Names & identifiers
Preferred name
4-[3-Phenylmethoxy-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]benzamide
IUPAC
4-[3-phenylmethoxy-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]benzamide
Names & synonyms
SCHEMBL1386214
Database identifiers
PubChem CID
67014579
Properties
Computed structural properties
XLogP
3.4
Topological polar surface area
73.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
8
Heavy atoms
30
Formal charge
0
Complexity
525
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Related reactions
1 records
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As solvent
HRID
95346
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Compound notes
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