3-[(1-ethylsulfonylpiperidin-4-yl)methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide

C20H28N4O4S — CID 92638029

IUPAC3-[(1-ethylsulfonylpiperidin-4-yl)methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(Cc2nn(C)cc2C(=O)Nc2ccc(OC)cc2)CC1
InChIInChI=1S/C20H28N4O4S/c1-4-29(26,27)24-11-9-15(10-12-24)13-19-18(14-23(2)22-19)20(25)21-16-5-7-17(28-3)8-6-16/h5-8,14-15H,4,9-13H2,1-3H3,(H,21,25)
InChIKeyKFIISIMYIBXCSE-UHFFFAOYSA-N
MW420.54 g/mol
LogP2.29
Rot. Bonds7

About 3-[(1-ethylsulfonylpiperidin-4-yl)methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide

3-[(1-ethylsulfonylpiperidin-4-yl)methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 92638029) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is 3-[(1-ethylsulfonylpiperidin-4-yl)methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(1-ethylsulfonylpiperidin-4-yl)methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide
PubChem CID92638029
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC Name3-[(1-ethylsulfonylpiperidin-4-yl)methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(Cc2nn(C)cc2C(=O)Nc2ccc(OC)cc2)CC1
InChIInChI=1S/C20H28N4O4S/c1-4-29(26,27)24-11-9-15(10-12-24)13-19-18(14-23(2)22-19)20(25)21-16-5-7-17(28-3)8-6-16/h5-8,14-15H,4,9-13H2,1-3H3,(H,21,25)
InChIKeyKFIISIMYIBXCSE-UHFFFAOYSA-N
XLogP2.29
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[1-(2-methoxy-2-methylpropanoyl)piperidin-4-yl]methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide
CID 92637470
1-ethyl-N-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)sulfonylpyrazole-4-carboxamide
CID 53142973
3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 92636806
N-(4-fluorophenyl)-1-methyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 95815275
N-(4-fluorophenyl)-1-methyl-3-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92636802
3-[[1-(2-acetamidoacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 92636807
3-[[1-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]piperidin-4-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 92637664
N-(4-fluorophenyl)-1-methyl-3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637540
N-(4-methoxyphenyl)-2-methyl-4-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 92638162
N-[2-(1-ethylsulfonylpiperidin-4-yl)pyrazol-3-yl]-4-methoxybenzamide
CID 29215915
N-(4-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46778377
N-(4-methoxyphenyl)-1,4-dimethylpyrazole-3-carboxamide
CID 110860027

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylsulfonylpiperidin-4-yl)methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-[(1-ethylsulfonylpiperidin-4-yl)methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide (CID 92638029) is 3-[(1-ethylsulfonylpiperidin-4-yl)methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-[(1-ethylsulfonylpiperidin-4-yl)methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-[(1-ethylsulfonylpiperidin-4-yl)methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide is CCS(=O)(=O)N1CCC(Cc2nn(C)cc2C(=O)Nc2ccc(OC)cc2)CC1.
What is the InChIKey of 3-[(1-ethylsulfonylpiperidin-4-yl)methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is KFIISIMYIBXCSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-4-29(26,27)24-11-9-15(10-12-24)13-19-18(14-23(2)22-19)20(25)21-16-5-7-17(28-3)8-6-16/h5-8,14-15H,4,9-13H2,1-3H3,(H,21,25).
What are the key properties of 3-[(1-ethylsulfonylpiperidin-4-yl)methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide?
3-[(1-ethylsulfonylpiperidin-4-yl)methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylsulfonylpiperidin-4-yl)methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 92638029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).