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

C13H22N4O4S — CID 9110830

IUPAC2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N,N-dimethylacetamide
SMILESCc1nn(CC(=O)N(C)C)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H22N4O4S/c1-10-13(22(19,20)16-5-7-21-8-6-16)11(2)17(14-10)9-12(18)15(3)4/h5-9H2,1-4H3
InChIKeyOOHYTFYOFYIXAM-UHFFFAOYSA-N
MW330.41 g/mol
LogP-0.39
Rot. Bonds4

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

2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N,N-dimethylacetamide (PubChem CID 9110830) has the molecular formula C13H22N4O4S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N,N-dimethylacetamide
PubChem CID9110830
Molecular FormulaC13H22N4O4S
Molecular Weight330.41 g/mol
Exact Mass330.14
IUPAC Name2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N,N-dimethylacetamide
SMILESCc1nn(CC(=O)N(C)C)c(C)c1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C13H22N4O4S/c1-10-13(22(19,20)16-5-7-21-8-6-16)11(2)17(14-10)9-12(18)15(3)4/h5-9H2,1-4H3
InChIKeyOOHYTFYOFYIXAM-UHFFFAOYSA-N
XLogP-0.39
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
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,N-dimethylacetamide?
The IUPAC name of 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N,N-dimethylacetamide (CID 9110830) is 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N,N-dimethylacetamide is Cc1nn(CC(=O)N(C)C)c(C)c1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N,N-dimethylacetamide?
The InChIKey is OOHYTFYOFYIXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4S/c1-10-13(22(19,20)16-5-7-21-8-6-16)11(2)17(14-10)9-12(18)15(3)4/h5-9H2,1-4H3.
What are the key properties of 2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N,N-dimethylacetamide?
2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)-N,N-dimethylacetamide has a molecular weight of 330.41 g/mol, XLogP of -0.39, 4 rotatable bonds, 0 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,N-dimethylacetamide is sourced from PubChem (CID 9110830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).