3-amino-1-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

C8H13F3N4O2S — CID 60892701

IUPAC3-amino-1-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(C)CC(F)(F)F)c(N)n1
InChIInChI=1S/C8H13F3N4O2S/c1-3-15-4-6(7(12)13-15)18(16,17)14(2)5-8(9,10)11/h4H,3,5H2,1-2H3,(H2,12,13)
InChIKeyUEUSVZZHNFEYAI-UHFFFAOYSA-N
MW286.28 g/mol
LogP0.67
Rot. Bonds4

About 3-amino-1-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

3-amino-1-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (PubChem CID 60892701) has the molecular formula C8H13F3N4O2S and a molecular weight of 286.28 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
PubChem CID60892701
Molecular FormulaC8H13F3N4O2S
Molecular Weight286.28 g/mol
Exact Mass286.07
IUPAC Name3-amino-1-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)N(C)CC(F)(F)F)c(N)n1
InChIInChI=1S/C8H13F3N4O2S/c1-3-15-4-6(7(12)13-15)18(16,17)14(2)5-8(9,10)11/h4H,3,5H2,1-2H3,(H2,12,13)
InChIKeyUEUSVZZHNFEYAI-UHFFFAOYSA-N
XLogP0.67
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N,1-diethyl-N-methylpyrazole-4-sulfonamide
CID 60807966
3-amino-1-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 61106434
3-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide
CID 106913973
3-amino-N-cyclopentyl-1-ethyl-N-methylpyrazole-4-sulfonamide
CID 60808791
3-amino-1-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-4-sulfonamide
CID 61426376
3-amino-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-sulfonamide
CID 55013803
3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide
CID 60814031
3-amino-1-ethyl-N-[(3-hydroxyphenyl)methyl]-N-methylpyrazole-4-sulfonamide
CID 61139222
2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-methylacetamide
CID 54922809
3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide
CID 61168847
2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114473
3-amino-N-cyclopentyl-N,1-diethylpyrazole-4-sulfonamide
CID 54922474

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (CID 60892701) is 3-amino-1-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)N(C)CC(F)(F)F)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is UEUSVZZHNFEYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4O2S/c1-3-15-4-6(7(12)13-15)18(16,17)14(2)5-8(9,10)11/h4H,3,5H2,1-2H3,(H2,12,13).
What are the key properties of 3-amino-1-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
3-amino-1-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 286.28 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 60892701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).