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

C21H19Cl3N4O — CID 11048627

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESO=C(NN1CCCCC1)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C21H19Cl3N4O/c22-15-6-4-14(5-7-15)20-13-18(21(29)26-27-10-2-1-3-11-27)25-28(20)19-9-8-16(23)12-17(19)24/h4-9,12-13H,1-3,10-11H2,(H,26,29)
InChIKeyINTQROPTEPGCAB-UHFFFAOYSA-N
MW449.77 g/mol
LogP5.63
Rot. Bonds4

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

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide (PubChem CID 11048627) has the molecular formula C21H19Cl3N4O and a molecular weight of 449.77 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
PubChem CID11048627
Molecular FormulaC21H19Cl3N4O
Molecular Weight449.77 g/mol
Exact Mass448.06
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
SMILESO=C(NN1CCCCC1)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C21H19Cl3N4O/c22-15-6-4-14(5-7-15)20-13-18(21(29)26-27-10-2-1-3-11-27)25-28(20)19-9-8-16(23)12-17(19)24/h4-9,12-13H,1-3,10-11H2,(H,26,29)
InChIKeyINTQROPTEPGCAB-UHFFFAOYSA-N
XLogP5.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.77
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Rimonabant
CID 104850
Surinabant
CID 9849616
N-(piperidin-1-yl)-1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-1H-pyrazole-3-carboxamide
CID 2125
AM6545
CID 46912919
AM 281
CID 4302962
N-(Piperidin-1-yl)-1-(2,4-dichlorophenyl)-1,4-dihydro-6-methylindeno[1,2-c]pyrazole-3-carboxamide
CID 10252734
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylsulfanyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
CID 23624319
Benzo(6,7)cyclohepta(1,2-C)pyrazole-3-carboxamide, 8-chloro-1-(2,4-dichlorophenyl)-1,4,5,6-tetrahydro-N-1-piperidinyl-
CID 10435654
5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-Pyrazole-3-carboxamide
CID 66844170
5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-n-pentyl-1H-pyrazole-3-carboxamide
CID 9868408
Pyrazole derivative 20
CID 24857045
5-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylsulfinyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide
CID 24863732

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide (CID 11048627) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide is O=C(NN1CCCCC1)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide?
The InChIKey is INTQROPTEPGCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl3N4O/c22-15-6-4-14(5-7-15)20-13-18(21(29)26-27-10-2-1-3-11-27)25-28(20)19-9-8-16(23)12-17(19)24/h4-9,12-13H,1-3,10-11H2,(H,26,29).
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide has a molecular weight of 449.77 g/mol, XLogP of 5.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide is sourced from PubChem (CID 11048627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).