5-(4-chlorophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide

C22H18Cl3N5O — CID 44582191

IUPAC5-(4-chlorophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESN#Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H18Cl3N5O/c23-15-6-4-14(5-7-15)21-17(13-26)20(22(31)28-29-10-2-1-3-11-29)27-30(21)19-9-8-16(24)12-18(19)25/h4-9,12H,1-3,10-11H2,(H,28,31)
InChIKeyOTEXJGPPDFKPIG-UHFFFAOYSA-N
MW474.78 g/mol
LogP5.50
Rot. Bonds4

About 5-(4-chlorophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide

5-(4-chlorophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide (PubChem CID 44582191) has the molecular formula C22H18Cl3N5O and a molecular weight of 474.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
PubChem CID44582191
Molecular FormulaC22H18Cl3N5O
Molecular Weight474.78 g/mol
Exact Mass473.06
IUPAC Name5-(4-chlorophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESN#Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H18Cl3N5O/c23-15-6-4-14(5-7-15)21-17(13-26)20(22(31)28-29-10-2-1-3-11-29)27-30(21)19-9-8-16(24)12-18(19)25/h4-9,12H,1-3,10-11H2,(H,28,31)
InChIKeyOTEXJGPPDFKPIG-UHFFFAOYSA-N
XLogP5.50
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.78
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-chlorophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide (CID 44582191) is 5-(4-chlorophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide is N#Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide?
The InChIKey is OTEXJGPPDFKPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl3N5O/c23-15-6-4-14(5-7-15)21-17(13-26)20(22(31)28-29-10-2-1-3-11-29)27-30(21)19-9-8-16(24)12-18(19)25/h4-9,12H,1-3,10-11H2,(H,28,31).
What are the key properties of 5-(4-chlorophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide?
5-(4-chlorophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide has a molecular weight of 474.78 g/mol, XLogP of 5.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-cyano-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 44582191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).