3-amino-N,1,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

C8H13F3N4O2S — CID 105358452

IUPAC3-amino-N,1,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)CC(F)(F)F)c(N)nn1C
InChIInChI=1S/C8H13F3N4O2S/c1-5-6(7(12)13-15(5)3)18(16,17)14(2)4-8(9,10)11/h4H2,1-3H3,(H2,12,13)
InChIKeyDDMXPOUEORQOJL-UHFFFAOYSA-N
MW286.28 g/mol
LogP0.49
Rot. Bonds3

About 3-amino-N,1,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

3-amino-N,1,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (PubChem CID 105358452) has the molecular formula C8H13F3N4O2S and a molecular weight of 286.28 g/mol. Its IUPAC name is 3-amino-N,1,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,1,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
PubChem CID105358452
Molecular FormulaC8H13F3N4O2S
Molecular Weight286.28 g/mol
Exact Mass286.07
IUPAC Name3-amino-N,1,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(C)CC(F)(F)F)c(N)nn1C
InChIInChI=1S/C8H13F3N4O2S/c1-5-6(7(12)13-15(5)3)18(16,17)14(2)4-8(9,10)11/h4H2,1-3H3,(H2,12,13)
InChIKeyDDMXPOUEORQOJL-UHFFFAOYSA-N
XLogP0.49
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluoro-1,3-dimethylpyrazol-5-yl)methanesulfonamide
CID 89793750
N-(4-amino-1,3-dimethylpyrazol-5-yl)-1,1-difluoromethanesulfonamide
CID 80357762
N-(4-amino-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83068393
3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358505
3-amino-1,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358506
3-amino-1,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358515
3-amino-1,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358547
3-amino-N-(2-hydroxyethyl)-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358606
1,5-Dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
CID 105358655
3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358766
3-amino-N-cyclopropyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358767
3-amino-1,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 105358902

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,1,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N,1,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (CID 105358452) is 3-amino-N,1,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,1,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,1,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)N(C)CC(F)(F)F)c(N)nn1C.
What is the InChIKey of 3-amino-N,1,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is DDMXPOUEORQOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4O2S/c1-5-6(7(12)13-15(5)3)18(16,17)14(2)4-8(9,10)11/h4H2,1-3H3,(H2,12,13).
What are the key properties of 3-amino-N,1,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
3-amino-N,1,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 286.28 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,1,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 105358452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).