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

C22H27Cl2N5O4S — CID 59862752

IUPACN-(1-cyclohexylsulfonylpiperidin-4-yl)-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)C2CCCCC2)CC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C22H27Cl2N5O4S/c23-16-7-4-8-17(24)19(16)21(30)27-18-13-25-28-20(18)22(31)26-14-9-11-29(12-10-14)34(32,33)15-5-2-1-3-6-15/h4,7-8,13-15H,1-3,5-6,9-12H2,(H,25,28)(H,26,31)(H,27,30)
InChIKeyYHXPLDOYIDYCTP-UHFFFAOYSA-N
MW528.46 g/mol
LogP3.83
Rot. Bonds6

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

N-(1-cyclohexylsulfonylpiperidin-4-yl)-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide (PubChem CID 59862752) has the molecular formula C22H27Cl2N5O4S and a molecular weight of 528.46 g/mol. Its IUPAC name is N-(1-cyclohexylsulfonylpiperidin-4-yl)-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-cyclohexylsulfonylpiperidin-4-yl)-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide
PubChem CID59862752
Molecular FormulaC22H27Cl2N5O4S
Molecular Weight528.46 g/mol
Exact Mass527.12
IUPAC NameN-(1-cyclohexylsulfonylpiperidin-4-yl)-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCN(S(=O)(=O)C2CCCCC2)CC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C22H27Cl2N5O4S/c23-16-7-4-8-17(24)19(16)21(30)27-18-13-25-28-20(18)22(31)26-14-9-11-29(12-10-14)34(32,33)15-5-2-1-3-6-15/h4,7-8,13-15H,1-3,5-6,9-12H2,(H,25,28)(H,26,31)(H,27,30)
InChIKeyYHXPLDOYIDYCTP-UHFFFAOYSA-N
XLogP3.83
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.46
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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-(dimethylsulfamoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 59862674
4-[(2,6-dichlorobenzoyl)amino]-N-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 59862699
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-[2-(dimethylamino)ethylsulfonyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 59862673
4-[(2-bromo-6-chlorobenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide
CID 59862708
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-methylpropanoyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 166167676
N-cyclohexyl-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide;2-methoxyethanol
CID 143263328
2-[4-[[4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carbonyl]amino]piperidin-1-yl]-3,3-dimethylbutanoic acid
CID 175068549
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-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 166167716

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylsulfonylpiperidin-4-yl)-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(1-cyclohexylsulfonylpiperidin-4-yl)-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide (CID 59862752) is N-(1-cyclohexylsulfonylpiperidin-4-yl)-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(1-cyclohexylsulfonylpiperidin-4-yl)-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(1-cyclohexylsulfonylpiperidin-4-yl)-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide is O=C(NC1CCN(S(=O)(=O)C2CCCCC2)CC1)c1[nH]ncc1NC(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of N-(1-cyclohexylsulfonylpiperidin-4-yl)-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
The InChIKey is YHXPLDOYIDYCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2N5O4S/c23-16-7-4-8-17(24)19(16)21(30)27-18-13-25-28-20(18)22(31)26-14-9-11-29(12-10-14)34(32,33)15-5-2-1-3-6-15/h4,7-8,13-15H,1-3,5-6,9-12H2,(H,25,28)(H,26,31)(H,27,30).
What are the key properties of N-(1-cyclohexylsulfonylpiperidin-4-yl)-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide?
N-(1-cyclohexylsulfonylpiperidin-4-yl)-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide has a molecular weight of 528.46 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexylsulfonylpiperidin-4-yl)-4-[(2,6-dichlorobenzoyl)amino]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 59862752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).