N-[2-(1-ethylsulfonylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide

C18H24N4O4S — CID 29215915

IUPACN-[2-(1-ethylsulfonylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide
SMILESCCS(=O)(=O)N1CCC(n2nccc2NC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H24N4O4S/c1-3-27(24,25)21-12-9-15(10-13-21)22-17(8-11-19-22)20-18(23)14-4-6-16(26-2)7-5-14/h4-8,11,15H,3,9-10,12-13H2,1-2H3,(H,20,23)
InChIKeyBNSRQSIURZRHHQ-UHFFFAOYSA-N
MW392.48 g/mol
LogP2.13
Rot. Bonds6

About N-[2-(1-ethylsulfonylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide

N-[2-(1-ethylsulfonylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide (PubChem CID 29215915) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[2-(1-ethylsulfonylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(1-ethylsulfonylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide
PubChem CID29215915
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC NameN-[2-(1-ethylsulfonylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide
SMILESCCS(=O)(=O)N1CCC(n2nccc2NC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H24N4O4S/c1-3-27(24,25)21-12-9-15(10-13-21)22-17(8-11-19-22)20-18(23)14-4-6-16(26-2)7-5-14/h4-8,11,15H,3,9-10,12-13H2,1-2H3,(H,20,23)
InChIKeyBNSRQSIURZRHHQ-UHFFFAOYSA-N
XLogP2.13
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 42567750
4-methoxy-N-[2-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]pyrazol-3-yl]benzamide
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4-methoxy-N-[2-[1-[[(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 95228095
4-methoxy-N-[2-[1-[(2R)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 25379021
N-[2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]pyrazol-3-yl]-4-methoxybenzamide
CID 42591639
4-methoxy-N-[2-[1-[3-(1,2-oxazolidin-2-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 26392217
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CID 56700714
4-(aminomethyl)-N-[2-(1-ethylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 119836594
N-(2-butan-2-ylpyrazol-3-yl)-4-methoxybenzamide
CID 56725907
N-(2-cyclohexylpyrazol-3-yl)-4-fluorobenzamide
CID 51145829
2-methoxy-N-[2-(1-methylpiperidin-4-yl)pyrazol-3-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-ethylsulfonylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide?
The IUPAC name of N-[2-(1-ethylsulfonylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide (CID 29215915) is N-[2-(1-ethylsulfonylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(1-ethylsulfonylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(1-ethylsulfonylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide is CCS(=O)(=O)N1CCC(n2nccc2NC(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of N-[2-(1-ethylsulfonylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide?
The InChIKey is BNSRQSIURZRHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-3-27(24,25)21-12-9-15(10-13-21)22-17(8-11-19-22)20-18(23)14-4-6-16(26-2)7-5-14/h4-8,11,15H,3,9-10,12-13H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(1-ethylsulfonylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide?
N-[2-(1-ethylsulfonylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide has a molecular weight of 392.48 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-ethylsulfonylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 29215915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).