1-(4-Chlorophenyl)-N-{3-cyano-4-[4-(N-(2-hydroxyethyl)-N-methylamino)piperidin-1-yl]phenyl}-5-methylpyrazole-4-carboxamide

HCID 22227993

Notes Reactions

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Basic information

Standard SMILES: Cc1c(C(=O)Nc2ccc(N3CCC(N(C)CCO)CC3)c(C#N)c2)cnn1-c1ccc(Cl)cc1
InChIKey: VDBKGNXWKGGOND-UHFFFAOYSA-N
Molecular formula: C26H29ClN6O2
Average molar mass: 493 g/mol

Names & identifiers

Preferred name: 1-(4-Chlorophenyl)-N-{3-cyano-4-[4-(N-(2-hydroxyethyl)-N-methylamino)piperidin-1-yl]phenyl}-5-methylpyrazole-4-carboxamide
IUPAC: 1-(4-chlorophenyl)-N-[3-cyano-4-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]phenyl]-5-methylpyrazole-4-carboxamide

Names & synonyms

SCHEMBL6052692VDBKGNXWKGGOND-UHFFFAOYSA-N1-(4-Chlorophenyl)-N-{3-cyano-4-[4-(N-(2-hydroxyethyl)-N-methylamino)piperidin-1-yl]phenyl}-5-methylpyrazole-4-carboxamide

Database identifiers

PubChem CID: 22227993

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 97.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 35
Formal charge: 0
Complexity: 745

Related reactions

2 records

New reaction record

HRID 687466As productTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 1744625As productuspto-grants-2006_03

Compound notes

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