5-[1-(benzenesulfonyl)piperidin-4-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

C17H22N4O3S — CID 92605973

IUPAC5-[1-(benzenesulfonyl)piperidin-4-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H22N4O3S/c1-20(2)17(22)15-12-18-19-16(15)13-8-10-21(11-9-13)25(23,24)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,18,19)
InChIKeyJFOBVKDLOJTXRQ-UHFFFAOYSA-N
MW362.46 g/mol
LogP1.68
Rot. Bonds4

About 5-[1-(benzenesulfonyl)piperidin-4-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide

5-[1-(benzenesulfonyl)piperidin-4-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 92605973) has the molecular formula C17H22N4O3S and a molecular weight of 362.46 g/mol. Its IUPAC name is 5-[1-(benzenesulfonyl)piperidin-4-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[1-(benzenesulfonyl)piperidin-4-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID92605973
Molecular FormulaC17H22N4O3S
Molecular Weight362.46 g/mol
Exact Mass362.14
IUPAC Name5-[1-(benzenesulfonyl)piperidin-4-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn[nH]c1C1CCN(S(=O)(=O)c2ccccc2)CC1
InChIInChI=1S/C17H22N4O3S/c1-20(2)17(22)15-12-18-19-16(15)13-8-10-21(11-9-13)25(23,24)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,18,19)
InChIKeyJFOBVKDLOJTXRQ-UHFFFAOYSA-N
XLogP1.68
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[5-[1-(benzenesulfonyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone
CID 92575414
5-[1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110259464
5-[1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 110088094
5-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 110084456
N-ethyl-5-[1-(2-methylpropanoyl)piperidin-4-yl]-N-phenyl-1H-pyrazole-4-carboxamide
CID 92591071
4-[6-[4-(benzenesulfonyl)piperazin-1-yl]-5-methyl-3-pyridinyl]-2-chloro-N,N-dimethylbenzamide
CID 129143741
5-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-ethyl-N-phenyl-1H-pyrazole-4-carboxamide
CID 92591072
3-[1-(benzenesulfonyl)piperidin-4-yl]-2-methyl-1H-indole
CID 113087336
1-(benzenesulfonyl)-4-methylpiperidine
CID 761422
N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95805298
[5-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 124982796
N-methyl-N-phenyl-5-[1-(4-pyridin-2-ylbutanoyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 92607650

Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzenesulfonyl)piperidin-4-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[1-(benzenesulfonyl)piperidin-4-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide (CID 92605973) is 5-[1-(benzenesulfonyl)piperidin-4-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[1-(benzenesulfonyl)piperidin-4-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[1-(benzenesulfonyl)piperidin-4-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is CN(C)C(=O)c1cn[nH]c1C1CCN(S(=O)(=O)c2ccccc2)CC1.
What is the InChIKey of 5-[1-(benzenesulfonyl)piperidin-4-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is JFOBVKDLOJTXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S/c1-20(2)17(22)15-12-18-19-16(15)13-8-10-21(11-9-13)25(23,24)14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H,18,19).
What are the key properties of 5-[1-(benzenesulfonyl)piperidin-4-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide?
5-[1-(benzenesulfonyl)piperidin-4-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 362.46 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(benzenesulfonyl)piperidin-4-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 92605973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).