3-methoxy-1-methyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]pyrazole-4-carboxamide

C17H24N4O4S2 — CID 51894947

IUPAC3-methoxy-1-methyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C17H24N4O4S2/c1-20-12-14(17(19-20)25-2)16(22)18-9-8-13-6-3-4-10-21(13)27(23,24)15-7-5-11-26-15/h5,7,11-13H,3-4,6,8-10H2,1-2H3,(H,18,22)/t13-/m1/s1
InChIKeyHREGYNDZGVYVGL-CYBMUJFWSA-N
MW412.54 g/mol
LogP1.85
Rot. Bonds7

About 3-methoxy-1-methyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]pyrazole-4-carboxamide

3-methoxy-1-methyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]pyrazole-4-carboxamide (PubChem CID 51894947) has the molecular formula C17H24N4O4S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]pyrazole-4-carboxamide
PubChem CID51894947
Molecular FormulaC17H24N4O4S2
Molecular Weight412.54 g/mol
Exact Mass412.12
IUPAC Name3-methoxy-1-methyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C17H24N4O4S2/c1-20-12-14(17(19-20)25-2)16(22)18-9-8-13-6-3-4-10-21(13)27(23,24)15-7-5-11-26-15/h5,7,11-13H,3-4,6,8-10H2,1-2H3,(H,18,22)/t13-/m1/s1
InChIKeyHREGYNDZGVYVGL-CYBMUJFWSA-N
XLogP1.85
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]pyrazole-4-carboxamide (CID 51894947) is 3-methoxy-1-methyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of 3-methoxy-1-methyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]pyrazole-4-carboxamide?
The InChIKey is HREGYNDZGVYVGL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N4O4S2/c1-20-12-14(17(19-20)25-2)16(22)18-9-8-13-6-3-4-10-21(13)27(23,24)15-7-5-11-26-15/h5,7,11-13H,3-4,6,8-10H2,1-2H3,(H,18,22)/t13-/m1/s1.
What are the key properties of 3-methoxy-1-methyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]pyrazole-4-carboxamide?
3-methoxy-1-methyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]pyrazole-4-carboxamide has a molecular weight of 412.54 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 51894947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).