N-(4-chloro-2-piperidin-1-ylphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide

C21H21Cl3N4O — CID 143395212

IUPACN-(4-chloro-2-piperidin-1-ylphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1N1CCCCC1)C1=NN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C21H21Cl3N4O/c22-14-5-7-19(16(24)12-14)28-11-8-18(26-28)21(29)25-17-6-4-15(23)13-20(17)27-9-2-1-3-10-27/h4-7,12-13H,1-3,8-11H2,(H,25,29)
InChIKeyOQOHJTKVJWTWHI-UHFFFAOYSA-N
MW451.79 g/mol
LogP5.84
Rot. Bonds4

About N-(4-chloro-2-piperidin-1-ylphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide

N-(4-chloro-2-piperidin-1-ylphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide (PubChem CID 143395212) has the molecular formula C21H21Cl3N4O and a molecular weight of 451.79 g/mol. Its IUPAC name is N-(4-chloro-2-piperidin-1-ylphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-piperidin-1-ylphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide
PubChem CID143395212
Molecular FormulaC21H21Cl3N4O
Molecular Weight451.79 g/mol
Exact Mass450.08
IUPAC NameN-(4-chloro-2-piperidin-1-ylphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1N1CCCCC1)C1=NN(c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C21H21Cl3N4O/c22-14-5-7-19(16(24)12-14)28-11-8-18(26-28)21(29)25-17-6-4-15(23)13-20(17)27-9-2-1-3-10-27/h4-7,12-13H,1-3,8-11H2,(H,25,29)
InChIKeyOQOHJTKVJWTWHI-UHFFFAOYSA-N
XLogP5.84
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.79
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dichlorophenyl)-N-(2-methylpiperidin-1-yl)-3,4-dihydropyrazole-5-carboxamide
CID 143932609
chlorobenzene;N-cyclohexyl-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide;ethane
CID 143395360
2-(2,4-dichlorophenyl)-N'-pentyl-3,4-dihydropyrazole-5-carbohydrazide
CID 143395196
N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide
CID 23149647
N-(2,4-dichlorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203970
N-(2-amino-4-methyl-5-piperidin-1-ylphenyl)-2,4-dichlorobenzamide
CID 91684113
2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2065695
2-chloro-N-[2,4-di(piperidin-1-yl)phenyl]benzamide
CID 2954012
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 47014200
N-(4-chloro-2-fluorophenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349261
2,4-dichloro-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 1397318
N-[2-(azepan-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide
CID 18287671

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-piperidin-1-ylphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide?
The IUPAC name of N-(4-chloro-2-piperidin-1-ylphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide (CID 143395212) is N-(4-chloro-2-piperidin-1-ylphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide.
What is the SMILES notation for N-(4-chloro-2-piperidin-1-ylphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide?
The canonical SMILES for N-(4-chloro-2-piperidin-1-ylphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide is O=C(Nc1ccc(Cl)cc1N1CCCCC1)C1=NN(c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of N-(4-chloro-2-piperidin-1-ylphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide?
The InChIKey is OQOHJTKVJWTWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Cl3N4O/c22-14-5-7-19(16(24)12-14)28-11-8-18(26-28)21(29)25-17-6-4-15(23)13-20(17)27-9-2-1-3-10-27/h4-7,12-13H,1-3,8-11H2,(H,25,29).
What are the key properties of N-(4-chloro-2-piperidin-1-ylphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide?
N-(4-chloro-2-piperidin-1-ylphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide has a molecular weight of 451.79 g/mol, XLogP of 5.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-piperidin-1-ylphenyl)-2-(2,4-dichlorophenyl)-3,4-dihydropyrazole-5-carboxamide is sourced from PubChem (CID 143395212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).