N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide

C18H24N4O3S — CID 51128590

IUPACN-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
SMILESCCS(=O)(=O)c1ccc(N2CCC(NC(=O)c3cnn(C)c3)CC2)cc1
InChIInChI=1S/C18H24N4O3S/c1-3-26(24,25)17-6-4-16(5-7-17)22-10-8-15(9-11-22)20-18(23)14-12-19-21(2)13-14/h4-7,12-13,15H,3,8-11H2,1-2H3,(H,20,23)
InChIKeyGDVHHISMXJVNGY-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.61
Rot. Bonds5

About N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide

N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 51128590) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
PubChem CID51128590
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC NameN-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
SMILESCCS(=O)(=O)c1ccc(N2CCC(NC(=O)c3cnn(C)c3)CC2)cc1
InChIInChI=1S/C18H24N4O3S/c1-3-26(24,25)17-6-4-16(5-7-17)22-10-8-15(9-11-22)20-18(23)14-12-19-21(2)13-14/h4-7,12-13,15H,3,8-11H2,1-2H3,(H,20,23)
InChIKeyGDVHHISMXJVNGY-UHFFFAOYSA-N
XLogP1.61
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide (CID 51128590) is N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide is CCS(=O)(=O)c1ccc(N2CCC(NC(=O)c3cnn(C)c3)CC2)cc1.
What is the InChIKey of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is GDVHHISMXJVNGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-3-26(24,25)17-6-4-16(5-7-17)22-10-8-15(9-11-22)20-18(23)14-12-19-21(2)13-14/h4-7,12-13,15H,3,8-11H2,1-2H3,(H,20,23).
What are the key properties of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide?
N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 376.48 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 51128590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).