1-methyl-3-(4-methylpiperidin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide

C17H24N4O3S2 — CID 53142899

IUPAC1-methyl-3-(4-methylpiperidin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide
SMILESCC1CCN(S(=O)(=O)c2nn(C)cc2C(=O)NCCc2cccs2)CC1
InChIInChI=1S/C17H24N4O3S2/c1-13-6-9-21(10-7-13)26(23,24)17-15(12-20(2)19-17)16(22)18-8-5-14-4-3-11-25-14/h3-4,11-13H,5-10H2,1-2H3,(H,18,22)
InChIKeyWALUWOXPLOUMMI-UHFFFAOYSA-N
MW396.54 g/mol
LogP1.87
Rot. Bonds6

About 1-methyl-3-(4-methylpiperidin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide

1-methyl-3-(4-methylpiperidin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide (PubChem CID 53142899) has the molecular formula C17H24N4O3S2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 1-methyl-3-(4-methylpiperidin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-3-(4-methylpiperidin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide
PubChem CID53142899
Molecular FormulaC17H24N4O3S2
Molecular Weight396.54 g/mol
Exact Mass396.13
IUPAC Name1-methyl-3-(4-methylpiperidin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide
SMILESCC1CCN(S(=O)(=O)c2nn(C)cc2C(=O)NCCc2cccs2)CC1
InChIInChI=1S/C17H24N4O3S2/c1-13-6-9-21(10-7-13)26(23,24)17-15(12-20(2)19-17)16(22)18-8-5-14-4-3-11-25-14/h3-4,11-13H,5-10H2,1-2H3,(H,18,22)
InChIKeyWALUWOXPLOUMMI-UHFFFAOYSA-N
XLogP1.87
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(4-methylpiperidin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-3-(4-methylpiperidin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide (CID 53142899) is 1-methyl-3-(4-methylpiperidin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-3-(4-methylpiperidin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-3-(4-methylpiperidin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide is CC1CCN(S(=O)(=O)c2nn(C)cc2C(=O)NCCc2cccs2)CC1.
What is the InChIKey of 1-methyl-3-(4-methylpiperidin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide?
The InChIKey is WALUWOXPLOUMMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S2/c1-13-6-9-21(10-7-13)26(23,24)17-15(12-20(2)19-17)16(22)18-8-5-14-4-3-11-25-14/h3-4,11-13H,5-10H2,1-2H3,(H,18,22).
What are the key properties of 1-methyl-3-(4-methylpiperidin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide?
1-methyl-3-(4-methylpiperidin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(4-methylpiperidin-1-yl)sulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 53142899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).