4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide

C20H26Cl2N6O4S — CID 59862673

IUPAC4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESCN(C)CCS(=O)(=O)N1CCC(NC(=O)c2[nH]ncc2NC(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C20H26Cl2N6O4S/c1-27(2)10-11-33(31,32)28-8-6-13(7-9-28)24-20(30)18-16(12-23-26-18)25-19(29)17-14(21)4-3-5-15(17)22/h3-5,12-13H,6-11H2,1-2H3,(H,23,26)(H,24,30)(H,25,29)
InChIKeyIZDPUARZDOACKX-UHFFFAOYSA-N
MW517.44 g/mol
LogP2.05
Rot. Bonds8

About 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide

4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide (PubChem CID 59862673) has the molecular formula C20H26Cl2N6O4S and a molecular weight of 517.44 g/mol. Its IUPAC name is 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
PubChem CID59862673
Molecular FormulaC20H26Cl2N6O4S
Molecular Weight517.44 g/mol
Exact Mass516.11
IUPAC Name4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
SMILESCN(C)CCS(=O)(=O)N1CCC(NC(=O)c2[nH]ncc2NC(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C20H26Cl2N6O4S/c1-27(2)10-11-33(31,32)28-8-6-13(7-9-28)24-20(30)18-16(12-23-26-18)25-19(29)17-14(21)4-3-5-15(17)22/h3-5,12-13H,6-11H2,1-2H3,(H,23,26)(H,24,30)(H,25,29)
InChIKeyIZDPUARZDOACKX-UHFFFAOYSA-N
XLogP2.05
TPSA127.50 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.44
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2,6-dichlorobenzoyl)amino]-N-[1-(dimethylsulfamoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 59862674
bis(4-[(2,6-dichlorobenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide);methane
CID 160548828
4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 59862729
4-[(2,6-dichlorobenzoyl)amino]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 59862699
N-(1-cyclohexylsulfonylpiperidin-4-yl)-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 59862752
4-[(2-bromo-6-chlorobenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 59862708
ethyl 4-[[4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidine-1-carboxylate
CID 11719428
4-[(2,6-dichlorobenzoyl)amino]-N-[1-(2-methylpropanoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 166167676
2-[4-[[4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidin-1-yl]acetic acid
CID 155229791
4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 166167716
2-[4-[[4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidin-1-yl]-3,3-dimethylbutanoic acid
CID 175068549
N-cyclohexyl-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide;2-methoxyethanol
CID 143263328

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide (CID 59862673) is 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide is CN(C)CCS(=O)(=O)N1CCC(NC(=O)c2[nH]ncc2NC(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is IZDPUARZDOACKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N6O4S/c1-27(2)10-11-33(31,32)28-8-6-13(7-9-28)24-20(30)18-16(12-23-26-18)25-19(29)17-14(21)4-3-5-15(17)22/h3-5,12-13H,6-11H2,1-2H3,(H,23,26)(H,24,30)(H,25,29).
What are the key properties of 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide?
4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 517.44 g/mol, XLogP of 2.05, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorobenzoyl)amino]-N-[1-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 59862673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).