N,N-dimethyl-2-[1H-pyrazol-4-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide

C9H13F3N4O3S — CID 60958755

IUPACN,N-dimethyl-2-[1H-pyrazol-4-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H13F3N4O3S/c1-15(2)8(17)5-16(6-9(10,11)12)20(18,19)7-3-13-14-4-7/h3-4H,5-6H2,1-2H3,(H,13,14)
InChIKeyPJMIQHBDLJRFQW-UHFFFAOYSA-N
MW314.29 g/mol
LogP0.05
Rot. Bonds5

About N,N-dimethyl-2-[1H-pyrazol-4-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide

N,N-dimethyl-2-[1H-pyrazol-4-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide (PubChem CID 60958755) has the molecular formula C9H13F3N4O3S and a molecular weight of 314.29 g/mol. Its IUPAC name is N,N-dimethyl-2-[1H-pyrazol-4-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[1H-pyrazol-4-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide
PubChem CID60958755
Molecular FormulaC9H13F3N4O3S
Molecular Weight314.29 g/mol
Exact Mass314.07
IUPAC NameN,N-dimethyl-2-[1H-pyrazol-4-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C9H13F3N4O3S/c1-15(2)8(17)5-16(6-9(10,11)12)20(18,19)7-3-13-14-4-7/h3-4H,5-6H2,1-2H3,(H,13,14)
InChIKeyPJMIQHBDLJRFQW-UHFFFAOYSA-N
XLogP0.05
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[1H-pyrazol-4-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[1H-pyrazol-4-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide (CID 60958755) is N,N-dimethyl-2-[1H-pyrazol-4-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[1H-pyrazol-4-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[1H-pyrazol-4-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide is CN(C)C(=O)CN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N,N-dimethyl-2-[1H-pyrazol-4-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide?
The InChIKey is PJMIQHBDLJRFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4O3S/c1-15(2)8(17)5-16(6-9(10,11)12)20(18,19)7-3-13-14-4-7/h3-4H,5-6H2,1-2H3,(H,13,14).
What are the key properties of N,N-dimethyl-2-[1H-pyrazol-4-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide?
N,N-dimethyl-2-[1H-pyrazol-4-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide has a molecular weight of 314.29 g/mol, XLogP of 0.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[1H-pyrazol-4-ylsulfonyl(2,2,2-trifluoroethyl)amino]acetamide is sourced from PubChem (CID 60958755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).