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

C21H23Cl3N4O — CID 69236777

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-piperidin-1-ylpyrazolidine-3-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CC(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2Cl)N1
InChIInChI=1S/C21H23Cl3N4O/c22-15-6-4-14(5-7-15)19-13-21(20(25)29,27-10-2-1-3-11-27)26-28(19)18-9-8-16(23)12-17(18)24/h4-9,12,19,26H,1-3,10-11,13H2,(H2,25,29)
InChIKeyGKGXIUVGTLDJPK-UHFFFAOYSA-N
MW453.80 g/mol
LogP4.77
Rot. Bonds4

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

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-piperidin-1-ylpyrazolidine-3-carboxamide (PubChem CID 69236777) has the molecular formula C21H23Cl3N4O and a molecular weight of 453.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-piperidin-1-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-piperidin-1-ylpyrazolidine-3-carboxamide
PubChem CID69236777
Molecular FormulaC21H23Cl3N4O
Molecular Weight453.80 g/mol
Exact Mass452.09
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-piperidin-1-ylpyrazolidine-3-carboxamide
SMILESNC(=O)C1(N2CCCCC2)CC(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2Cl)N1
InChIInChI=1S/C21H23Cl3N4O/c22-15-6-4-14(5-7-15)19-13-21(20(25)29,27-10-2-1-3-11-27)26-28(19)18-9-8-16(23)12-17(18)24/h4-9,12,19,26H,1-3,10-11,13H2,(H2,25,29)
InChIKeyGKGXIUVGTLDJPK-UHFFFAOYSA-N
XLogP4.77
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.80
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidine
CID 71176112
(3R)-3-(4-aminophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 89191488
2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxamide
CID 71161115
(3S)-N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxamide
CID 69381529
[4-[[3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]methyl]phenyl]methanol
CID 89446386
(2S,4R)-2-(4-chlorophenyl)-1-(2,4-dichlorophenyl)piperidin-4-amine
CID 58956932
(3R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;methanesulfonic acid
CID 173125791
(3S)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;methanesulfonic acid
CID 87639880
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;thiocyanic acid
CID 87794172
(2S)-2-amino-1-[(3R)-3-(4-chlorophenyl)-4-(2,4-dichlorophenyl)piperazin-1-yl]butan-1-one
CID 143237811
2-(4-chlorophenyl)cyclopropane-1,1-dicarboxamide
CID 175093950
N-(2-carbamoylpyrrolidin-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide
CID 44544494

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-piperidin-1-ylpyrazolidine-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-piperidin-1-ylpyrazolidine-3-carboxamide (CID 69236777) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-piperidin-1-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-piperidin-1-ylpyrazolidine-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-piperidin-1-ylpyrazolidine-3-carboxamide is NC(=O)C1(N2CCCCC2)CC(c2ccc(Cl)cc2)N(c2ccc(Cl)cc2Cl)N1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-piperidin-1-ylpyrazolidine-3-carboxamide?
The InChIKey is GKGXIUVGTLDJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl3N4O/c22-15-6-4-14(5-7-15)19-13-21(20(25)29,27-10-2-1-3-11-27)26-28(19)18-9-8-16(23)12-17(18)24/h4-9,12,19,26H,1-3,10-11,13H2,(H2,25,29).
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-piperidin-1-ylpyrazolidine-3-carboxamide?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-piperidin-1-ylpyrazolidine-3-carboxamide has a molecular weight of 453.80 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-3-piperidin-1-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 69236777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).