5-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

C17H21ClN4O3S — CID 110088094

IUPAC5-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1C1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN4O3S/c1-21(2)17(23)14-11-19-20-16(14)15-5-3-4-10-22(15)26(24,25)13-8-6-12(18)7-9-13/h6-9,11,15H,3-5,10H2,1-2H3,(H,19,20)
InChIKeyBZLBTBADXWHLQT-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.68
Rot. Bonds4

About 5-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

5-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 110088094) has the molecular formula C17H21ClN4O3S and a molecular weight of 396.90 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID110088094
Molecular FormulaC17H21ClN4O3S
Molecular Weight396.90 g/mol
Exact Mass396.10
IUPAC Name5-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1C1CCCCN1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN4O3S/c1-21(2)17(23)14-11-19-20-16(14)15-5-3-4-10-22(15)26(24,25)13-8-6-12(18)7-9-13/h6-9,11,15H,3-5,10H2,1-2H3,(H,19,20)
InChIKeyBZLBTBADXWHLQT-UHFFFAOYSA-N
XLogP2.68
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[5-[1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]methanone
CID 110088119
[5-[(2R)-1-(4-methoxyphenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-piperidin-1-ylmethanone
CID 124948630
5-[(2S)-1-[2-fluoro-5-(methylsulfamoyl)benzoyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 125007017
[5-[1-(3,4-difluorophenyl)sulfonylpiperidin-2-yl]-1H-pyrazol-4-yl]-morpholin-4-ylmethanone
CID 127244589
5-[5-[(2R)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrazol-4-yl]-3-methyl-1,2-oxazole
CID 136860513
5-[1-(benzenesulfonyl)piperidin-4-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 92605973
2-[1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-methyl-1H-imidazole
CID 110104553
5-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 166229602
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
N,N-dimethyl-5-[1-[[3-(trifluoromethyl)cyclobutyl]methyl]piperidin-2-yl]-1H-pyrazole-4-carboxamide
CID 166276294
N,N-dimethyl-5-[1-(2-phenylethyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
CID 110250337
(2S)-1-(4-chlorophenyl)sulfonyl-N-cyclopropylpiperidine-2-carboxamide
CID 92887706

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (CID 110088094) is 5-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is CN(C)C(=O)c1cn[nH]c1C1CCCCN1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 5-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is BZLBTBADXWHLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3S/c1-21(2)17(23)14-11-19-20-16(14)15-5-3-4-10-22(15)26(24,25)13-8-6-12(18)7-9-13/h6-9,11,15H,3-5,10H2,1-2H3,(H,19,20).
What are the key properties of 5-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
5-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 396.90 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110088094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).