N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazole-4-carboxamide

C18H24N4O3S — CID 110247163

IUPACN,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(c3[nH]ncc3C(=O)N(C)C)C2)cc1
InChIInChI=1S/C18H24N4O3S/c1-13-6-8-15(9-7-13)26(24,25)22-10-4-5-14(12-22)17-16(11-19-20-17)18(23)21(2)3/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,19,20)
InChIKeyRTKZKMORENBESY-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.99
Rot. Bonds4

About N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazole-4-carboxamide

N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 110247163) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID110247163
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(S(=O)(=O)N2CCCC(c3[nH]ncc3C(=O)N(C)C)C2)cc1
InChIInChI=1S/C18H24N4O3S/c1-13-6-8-15(9-7-13)26(24,25)22-10-4-5-14(12-22)17-16(11-19-20-17)18(23)21(2)3/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,19,20)
InChIKeyRTKZKMORENBESY-UHFFFAOYSA-N
XLogP1.99
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methylbenzenesulfonyl)-4-(5-phenyl-1H-pyrazole-3-carbonyl)piperazine
CID 8889263
N-Benzyl-N-(1H-pyrazol-3-ylmethyl)-2-(toluene-4-sulfonylamino)-benzamide
CID 44328272
1-(3-Phenyl-1H-pyrazole-5-carbonyl)-4-[4-(propan-2-YL)benzenesulfonyl]piperazine
CID 20864932
[4-(benzenesulfonyl)piperazin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 17412557
4-[(isobutylamino)sulfonyl]-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]benzamide
CID 70740470
3-{1-[(3-Fluorophenyl)sulfonyl]-3-piperidyl}-N~1~-[(5-methyl-1H-pyrazol-4-YL)methyl]propanamide
CID 91913356
N,N-Dimethyl-3-[1-(4-methylbenzenesulfonyl)piperidin-4-YL]-1H-pyrazole-4-carboxamide
CID 92557990
5-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 92605965
3-[1-(3-Chlorobenzenesulfonyl)piperidin-4-YL]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 92605971
5-[1-(benzenesulfonyl)piperidin-4-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 92605973
5-[1-(benzenesulfonyl)-4-methylpiperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 95848734
(3-methylphenyl)-[2-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 118740377

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazole-4-carboxamide (CID 110247163) is N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazole-4-carboxamide is Cc1ccc(S(=O)(=O)N2CCCC(c3[nH]ncc3C(=O)N(C)C)C2)cc1.
What is the InChIKey of N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is RTKZKMORENBESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-13-6-8-15(9-7-13)26(24,25)22-10-4-5-14(12-22)17-16(11-19-20-17)18(23)21(2)3/h6-9,11,14H,4-5,10,12H2,1-3H3,(H,19,20).
What are the key properties of N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazole-4-carboxamide?
N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110247163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).