2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide

C9H14F3N5O3S — CID 61109756

IUPAC2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C9H14F3N5O3S/c1-16-3-6(8(13)15-16)21(19,20)17(2)4-7(18)14-5-9(10,11)12/h3H,4-5H2,1-2H3,(H2,13,15)(H,14,18)
InChIKeyVLCIRSSHGDRJSS-UHFFFAOYSA-N
MW329.30 g/mol
LogP-0.70
Rot. Bonds5

About 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 61109756) has the molecular formula C9H14F3N5O3S and a molecular weight of 329.30 g/mol. Its IUPAC name is 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID61109756
Molecular FormulaC9H14F3N5O3S
Molecular Weight329.30 g/mol
Exact Mass329.08
IUPAC Name2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C9H14F3N5O3S/c1-16-3-6(8(13)15-16)21(19,20)17(2)4-7(18)14-5-9(10,11)12/h3H,4-5H2,1-2H3,(H2,13,15)(H,14,18)
InChIKeyVLCIRSSHGDRJSS-UHFFFAOYSA-N
XLogP-0.70
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 55006939
3-amino-N,1-diethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 55006940
3-amino-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 55174165
3-amino-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60809738
3-amino-1-ethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60809899
3-amino-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60809900
3-amino-N,1-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60892700
3-amino-1-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60892701
3-amino-N-methyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60892892
3-amino-N-butyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 61106242
3-amino-N-butyl-1-ethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 61106243
3-amino-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 61106433

Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 61109756) is 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide is CN(CC(=O)NCC(F)(F)F)S(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VLCIRSSHGDRJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5O3S/c1-16-3-6(8(13)15-16)21(19,20)17(2)4-7(18)14-5-9(10,11)12/h3H,4-5H2,1-2H3,(H2,13,15)(H,14,18).
What are the key properties of 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 329.30 g/mol, XLogP of -0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-1-methylpyrazol-4-yl)sulfonyl-methylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 61109756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).