1-methyl-3-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide

C16H22N4O3S2 — CID 53142863

IUPAC1-methyl-3-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCc2cccs2)c(S(=O)(=O)N2CCCCC2)n1
InChIInChI=1S/C16H22N4O3S2/c1-19-12-14(15(21)17-8-7-13-6-5-11-24-13)16(18-19)25(22,23)20-9-3-2-4-10-20/h5-6,11-12H,2-4,7-10H2,1H3,(H,17,21)
InChIKeyACSFUWUIIJRWFX-UHFFFAOYSA-N
MW382.51 g/mol
LogP1.63
Rot. Bonds6

About 1-methyl-3-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide

1-methyl-3-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide (PubChem CID 53142863) has the molecular formula C16H22N4O3S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1-methyl-3-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-3-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide
PubChem CID53142863
Molecular FormulaC16H22N4O3S2
Molecular Weight382.51 g/mol
Exact Mass382.11
IUPAC Name1-methyl-3-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCCc2cccs2)c(S(=O)(=O)N2CCCCC2)n1
InChIInChI=1S/C16H22N4O3S2/c1-19-12-14(15(21)17-8-7-13-6-5-11-24-13)16(18-19)25(22,23)20-9-3-2-4-10-20/h5-6,11-12H,2-4,7-10H2,1H3,(H,17,21)
InChIKeyACSFUWUIIJRWFX-UHFFFAOYSA-N
XLogP1.63
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-3-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide (CID 53142863) is 1-methyl-3-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-3-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-3-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide is Cn1cc(C(=O)NCCc2cccs2)c(S(=O)(=O)N2CCCCC2)n1.
What is the InChIKey of 1-methyl-3-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide?
The InChIKey is ACSFUWUIIJRWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S2/c1-19-12-14(15(21)17-8-7-13-6-5-11-24-13)16(18-19)25(22,23)20-9-3-2-4-10-20/h5-6,11-12H,2-4,7-10H2,1H3,(H,17,21).
What are the key properties of 1-methyl-3-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide?
1-methyl-3-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-piperidin-1-ylsulfonyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 53142863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).