2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide

C12H20N4O4S — CID 8901144

IUPAC2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1nc(C)c(S(=O)(=O)N2CCOCC2)c1C
InChIInChI=1S/C12H20N4O4S/c1-9-12(10(2)16(14-9)8-11(17)13-3)21(18,19)15-4-6-20-7-5-15/h4-8H2,1-3H3,(H,13,17)
InChIKeyDTJVXQJNWQDOQE-UHFFFAOYSA-N
MW316.38 g/mol
LogP-0.73
Rot. Bonds4

About 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide

2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide (PubChem CID 8901144) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide
PubChem CID8901144
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide
SMILESCNC(=O)Cn1nc(C)c(S(=O)(=O)N2CCOCC2)c1C
InChIInChI=1S/C12H20N4O4S/c1-9-12(10(2)16(14-9)8-11(17)13-3)21(18,19)15-4-6-20-7-5-15/h4-8H2,1-3H3,(H,13,17)
InChIKeyDTJVXQJNWQDOQE-UHFFFAOYSA-N
XLogP-0.73
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide?
The IUPAC name of 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide (CID 8901144) is 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide is CNC(=O)Cn1nc(C)c(S(=O)(=O)N2CCOCC2)c1C.
What is the InChIKey of 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide?
The InChIKey is DTJVXQJNWQDOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-9-12(10(2)16(14-9)8-11(17)13-3)21(18,19)15-4-6-20-7-5-15/h4-8H2,1-3H3,(H,13,17).
What are the key properties of 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide?
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide has a molecular weight of 316.38 g/mol, XLogP of -0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 8901144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).