3-amino-1,5-dimethyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide

C10H17F3N4O2S — CID 105359161

IUPAC3-amino-1,5-dimethyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCCCCC(F)(F)F)c(N)nn1C
InChIInChI=1S/C10H17F3N4O2S/c1-7-8(9(14)16-17(7)2)20(18,19)15-6-4-3-5-10(11,12)13/h15H,3-6H2,1-2H3,(H2,14,16)
InChIKeyGOHQKNFFUXVGAS-UHFFFAOYSA-N
MW314.33 g/mol
LogP1.32
Rot. Bonds6

About 3-amino-1,5-dimethyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide

3-amino-1,5-dimethyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide (PubChem CID 105359161) has the molecular formula C10H17F3N4O2S and a molecular weight of 314.33 g/mol. Its IUPAC name is 3-amino-1,5-dimethyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1,5-dimethyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide
PubChem CID105359161
Molecular FormulaC10H17F3N4O2S
Molecular Weight314.33 g/mol
Exact Mass314.10
IUPAC Name3-amino-1,5-dimethyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCCCCC(F)(F)F)c(N)nn1C
InChIInChI=1S/C10H17F3N4O2S/c1-7-8(9(14)16-17(7)2)20(18,19)15-6-4-3-5-10(11,12)13/h15H,3-6H2,1-2H3,(H2,14,16)
InChIKeyGOHQKNFFUXVGAS-UHFFFAOYSA-N
XLogP1.32
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-1-(difluoromethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 19582811
N-(3-aminopropyl)-1-(difluoromethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 19621226
1-(2-aminoethyl)-N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 65772048
1-(3-aminopropyl)-N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 65774931
1-(2-aminoethyl)-N-ethyl-3,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 65787283
1-(3-aminopropyl)-3,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 65797269
1-(2-aminoethyl)-3,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 65797455
1-(3-aminopropyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 65801480
3,5-dimethyl-1-[3-(methylamino)propyl]-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 65802703
1-(2-aminoethyl)-N,3,5-trimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 65823777
3-amino-N,1,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358452
3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358505

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,5-dimethyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1,5-dimethyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide (CID 105359161) is 3-amino-1,5-dimethyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1,5-dimethyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1,5-dimethyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NCCCCC(F)(F)F)c(N)nn1C.
What is the InChIKey of 3-amino-1,5-dimethyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide?
The InChIKey is GOHQKNFFUXVGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O2S/c1-7-8(9(14)16-17(7)2)20(18,19)15-6-4-3-5-10(11,12)13/h15H,3-6H2,1-2H3,(H2,14,16).
What are the key properties of 3-amino-1,5-dimethyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide?
3-amino-1,5-dimethyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide has a molecular weight of 314.33 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,5-dimethyl-N-(5,5,5-trifluoropentyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 105359161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).