4-[(2,6-dichlorobenzoyl)amino]-1-methylsulfonyl-N-piperidin-4-ylpyrazole-3-carboxamide

C17H19Cl2N5O4S — CID 171649605

IUPAC4-[(2,6-dichlorobenzoyl)amino]-1-methylsulfonyl-N-piperidin-4-ylpyrazole-3-carboxamide
SMILESCS(=O)(=O)n1cc(NC(=O)c2c(Cl)cccc2Cl)c(C(=O)NC2CCNCC2)n1
InChIInChI=1S/C17H19Cl2N5O4S/c1-29(27,28)24-9-13(22-16(25)14-11(18)3-2-4-12(14)19)15(23-24)17(26)21-10-5-7-20-8-6-10/h2-4,9-10,20H,5-8H2,1H3,(H,21,26)(H,22,25)
InChIKeyOYRCERMGABPJNA-UHFFFAOYSA-N
MW460.34 g/mol
LogP1.73
Rot. Bonds5

About 4-[(2,6-dichlorobenzoyl)amino]-1-methylsulfonyl-N-piperidin-4-ylpyrazole-3-carboxamide

4-[(2,6-dichlorobenzoyl)amino]-1-methylsulfonyl-N-piperidin-4-ylpyrazole-3-carboxamide (PubChem CID 171649605) has the molecular formula C17H19Cl2N5O4S and a molecular weight of 460.34 g/mol. Its IUPAC name is 4-[(2,6-dichlorobenzoyl)amino]-1-methylsulfonyl-N-piperidin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[(2,6-dichlorobenzoyl)amino]-1-methylsulfonyl-N-piperidin-4-ylpyrazole-3-carboxamide
PubChem CID171649605
Molecular FormulaC17H19Cl2N5O4S
Molecular Weight460.34 g/mol
Exact Mass459.05
IUPAC Name4-[(2,6-dichlorobenzoyl)amino]-1-methylsulfonyl-N-piperidin-4-ylpyrazole-3-carboxamide
SMILESCS(=O)(=O)n1cc(NC(=O)c2c(Cl)cccc2Cl)c(C(=O)NC2CCNCC2)n1
InChIInChI=1S/C17H19Cl2N5O4S/c1-29(27,28)24-9-13(22-16(25)14-11(18)3-2-4-12(14)19)15(23-24)17(26)21-10-5-7-20-8-6-10/h2-4,9-10,20H,5-8H2,1H3,(H,21,26)(H,22,25)
InChIKeyOYRCERMGABPJNA-UHFFFAOYSA-N
XLogP1.73
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.34
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(2,6-dichlorobenzoyl)amino]-1-[2-(4-methoxyphenyl)ethylsulfonyl]-N-piperidin-4-ylpyrazole-3-carboxamide
CID 171649627
4-[(2,6-dichlorobenzoyl)amino]-1-(dodecoxymethyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride
CID 155229814
[4-[(2,6-dichlorobenzoyl)amino]-3-(piperidin-4-ylcarbamoyl)pyrazol-1-yl]methyl dodecanoate;hydrochloride
CID 165111593
4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrrole-3-carboxamide
CID 177382788
4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazol-1-ium-3-carboxamide
CID 143263793
propan-2-yl (2S)-2-[[[4-[(2,6-dichlorobenzoyl)amino]-3-(piperidin-4-ylcarbamoyl)pyrazol-1-yl]-naphthalen-2-yloxyphosphoryl]amino]-3-methylbutanoate
CID 167138521
bis(4-[(2,6-dichlorobenzoyl)amino]-N-(1-methylsulfonylpiperidin-4-yl)-1H-pyrazole-5-carboxamide);methane
CID 160548828
4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;2,2-dimethylpropanoyloxymethoxyphosphinous acid
CID 155713999
4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-ylpyrazolidine-3-carboxamide;methanesulfonic acid
CID 74081492
4-[[2,6-dichloro-4-(1,2,4-triazol-1-ylsulfonyl)benzoyl]amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
CID 164925952
N-(azetidin-3-yl)-1-(2,6-dichlorobenzoyl)-4-[(2,6-dichlorobenzoyl)amino]-N-methylpyrazole-3-carboxamide
CID 171649639
2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428069

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dichlorobenzoyl)amino]-1-methylsulfonyl-N-piperidin-4-ylpyrazole-3-carboxamide?
The IUPAC name of 4-[(2,6-dichlorobenzoyl)amino]-1-methylsulfonyl-N-piperidin-4-ylpyrazole-3-carboxamide (CID 171649605) is 4-[(2,6-dichlorobenzoyl)amino]-1-methylsulfonyl-N-piperidin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[(2,6-dichlorobenzoyl)amino]-1-methylsulfonyl-N-piperidin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-[(2,6-dichlorobenzoyl)amino]-1-methylsulfonyl-N-piperidin-4-ylpyrazole-3-carboxamide is CS(=O)(=O)n1cc(NC(=O)c2c(Cl)cccc2Cl)c(C(=O)NC2CCNCC2)n1.
What is the InChIKey of 4-[(2,6-dichlorobenzoyl)amino]-1-methylsulfonyl-N-piperidin-4-ylpyrazole-3-carboxamide?
The InChIKey is OYRCERMGABPJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N5O4S/c1-29(27,28)24-9-13(22-16(25)14-11(18)3-2-4-12(14)19)15(23-24)17(26)21-10-5-7-20-8-6-10/h2-4,9-10,20H,5-8H2,1H3,(H,21,26)(H,22,25).
What are the key properties of 4-[(2,6-dichlorobenzoyl)amino]-1-methylsulfonyl-N-piperidin-4-ylpyrazole-3-carboxamide?
4-[(2,6-dichlorobenzoyl)amino]-1-methylsulfonyl-N-piperidin-4-ylpyrazole-3-carboxamide has a molecular weight of 460.34 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dichlorobenzoyl)amino]-1-methylsulfonyl-N-piperidin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 171649605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).