2-[methyl(methylsulfonyl)amino]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide

C9H13F3N4O3S — CID 71875451

IUPAC2-[methyl(methylsulfonyl)amino]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
SMILESCN(CC(=O)Nc1cnn(CC(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C9H13F3N4O3S/c1-15(20(2,18)19)5-8(17)14-7-3-13-16(4-7)6-9(10,11)12/h3-4H,5-6H2,1-2H3,(H,14,17)
InChIKeyJOYDDFNBSMBTMR-UHFFFAOYSA-N
MW314.29 g/mol
LogP0.28
Rot. Bonds5

About 2-[methyl(methylsulfonyl)amino]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide

2-[methyl(methylsulfonyl)amino]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide (PubChem CID 71875451) has the molecular formula C9H13F3N4O3S and a molecular weight of 314.29 g/mol. Its IUPAC name is 2-[methyl(methylsulfonyl)amino]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[methyl(methylsulfonyl)amino]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
PubChem CID71875451
Molecular FormulaC9H13F3N4O3S
Molecular Weight314.29 g/mol
Exact Mass314.07
IUPAC Name2-[methyl(methylsulfonyl)amino]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide
SMILESCN(CC(=O)Nc1cnn(CC(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C9H13F3N4O3S/c1-15(20(2,18)19)5-8(17)14-7-3-13-16(4-7)6-9(10,11)12/h3-4H,5-6H2,1-2H3,(H,14,17)
InChIKeyJOYDDFNBSMBTMR-UHFFFAOYSA-N
XLogP0.28
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-[methyl(methylsulfonyl)amino]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide (CID 71875451) is 2-[methyl(methylsulfonyl)amino]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-[methyl(methylsulfonyl)amino]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-[methyl(methylsulfonyl)amino]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide is CN(CC(=O)Nc1cnn(CC(F)(F)F)c1)S(C)(=O)=O.
What is the InChIKey of 2-[methyl(methylsulfonyl)amino]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide?
The InChIKey is JOYDDFNBSMBTMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O3S/c1-15(20(2,18)19)5-8(17)14-7-3-13-16(4-7)6-9(10,11)12/h3-4H,5-6H2,1-2H3,(H,14,17).
What are the key properties of 2-[methyl(methylsulfonyl)amino]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide?
2-[methyl(methylsulfonyl)amino]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide has a molecular weight of 314.29 g/mol, XLogP of 0.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylsulfonyl)amino]-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 71875451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).