5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-4H-pyrazole-3-carboxamide;hydrochloride

C22H24Cl4N4O — CID 24998685

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-4H-pyrazole-3-carboxamide;hydrochloride
SMILESCC1(c2ccc(Cl)cc2)CC(C(=O)NN2CCCCC2)=NN1c1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C22H23Cl3N4O.ClH/c1-22(15-5-7-16(23)8-6-15)14-19(21(30)27-28-11-3-2-4-12-28)26-29(22)20-10-9-17(24)13-18(20)25;/h5-10,13H,2-4,11-12,14H2,1H3,(H,27,30);1H
InChIKeyYKKCZOUFXCKEHK-UHFFFAOYSA-N
MW502.27 g/mol
LogP6.07
Rot. Bonds4

About 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-4H-pyrazole-3-carboxamide;hydrochloride

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-4H-pyrazole-3-carboxamide;hydrochloride (PubChem CID 24998685) has the molecular formula C22H24Cl4N4O and a molecular weight of 502.27 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-4H-pyrazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-4H-pyrazole-3-carboxamide;hydrochloride
PubChem CID24998685
Molecular FormulaC22H24Cl4N4O
Molecular Weight502.27 g/mol
Exact Mass500.07
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-4H-pyrazole-3-carboxamide;hydrochloride
SMILESCC1(c2ccc(Cl)cc2)CC(C(=O)NN2CCCCC2)=NN1c1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C22H23Cl3N4O.ClH/c1-22(15-5-7-16(23)8-6-15)14-19(21(30)27-28-11-3-2-4-12-28)26-29(22)20-10-9-17(24)13-18(20)25;/h5-10,13H,2-4,11-12,14H2,1H3,(H,27,30);1H
InChIKeyYKKCZOUFXCKEHK-UHFFFAOYSA-N
XLogP6.07
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.27
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azepan-1-yl)-4-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3H-pyrazole-5-carboxamide;hydrochloride
CID 69303298
(3R,4R)-N-(azocan-1-yl)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-3,4-dihydropyrazole-5-carboxamide;hydrochloride
CID 158469376
(3R)-2-(2,4-dichlorophenyl)-3-iodo-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 89378026
(3S)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;methanesulfonic acid
CID 87639880
(3R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;methanesulfonic acid
CID 173125791
4-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 23653997
N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazole-5-carboxamide;hydrochloride
CID 67248946
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 57453008
(3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carbothioamide;(3R,4R)-3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;hydrochloride
CID 160863969
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide;thiocyanic acid
CID 87794172
(3R)-3-(4-aminophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-3,4-dihydropyrazole-5-carboxamide
CID 89191488
(3S)-N-(azepan-1-yl)-2-(2,4-dichlorophenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazole-5-carboxamide
CID 69381529

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-4H-pyrazole-3-carboxamide;hydrochloride?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-4H-pyrazole-3-carboxamide;hydrochloride (CID 24998685) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-4H-pyrazole-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-4H-pyrazole-3-carboxamide;hydrochloride?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-4H-pyrazole-3-carboxamide;hydrochloride is CC1(c2ccc(Cl)cc2)CC(C(=O)NN2CCCCC2)=NN1c1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-4H-pyrazole-3-carboxamide;hydrochloride?
The InChIKey is YKKCZOUFXCKEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl3N4O.ClH/c1-22(15-5-7-16(23)8-6-15)14-19(21(30)27-28-11-3-2-4-12-28)26-29(22)20-10-9-17(24)13-18(20)25;/h5-10,13H,2-4,11-12,14H2,1H3,(H,27,30);1H.
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-4H-pyrazole-3-carboxamide;hydrochloride?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-4H-pyrazole-3-carboxamide;hydrochloride has a molecular weight of 502.27 g/mol, XLogP of 6.07, 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)-5-methyl-N-piperidin-1-yl-4H-pyrazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 24998685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).