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

C10H17F3N4O2S — CID 61106242

IUPAC3-amino-N-butyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCCCCN(CC(F)(F)F)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C10H17F3N4O2S/c1-3-4-5-17(7-10(11,12)13)20(18,19)8-6-16(2)15-9(8)14/h6H,3-5,7H2,1-2H3,(H2,14,15)
InChIKeyYKLNQBLCSLHYSG-UHFFFAOYSA-N
MW314.33 g/mol
LogP1.36
Rot. Bonds6

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

3-amino-N-butyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (PubChem CID 61106242) has the molecular formula C10H17F3N4O2S and a molecular weight of 314.33 g/mol. Its IUPAC name is 3-amino-N-butyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-butyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
PubChem CID61106242
Molecular FormulaC10H17F3N4O2S
Molecular Weight314.33 g/mol
Exact Mass314.10
IUPAC Name3-amino-N-butyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCCCCN(CC(F)(F)F)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C10H17F3N4O2S/c1-3-4-5-17(7-10(11,12)13)20(18,19)8-6-16(2)15-9(8)14/h6H,3-5,7H2,1-2H3,(H2,14,15)
InChIKeyYKLNQBLCSLHYSG-UHFFFAOYSA-N
XLogP1.36
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-butyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (CID 61106242) is 3-amino-N-butyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-butyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-butyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is CCCCN(CC(F)(F)F)S(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-N-butyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is YKLNQBLCSLHYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O2S/c1-3-4-5-17(7-10(11,12)13)20(18,19)8-6-16(2)15-9(8)14/h6H,3-5,7H2,1-2H3,(H2,14,15).
What are the key properties of 3-amino-N-butyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
3-amino-N-butyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 314.33 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 61106242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).