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

C9H15F3N4O2S — CID 61106433

IUPAC3-amino-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C9H15F3N4O2S/c1-3-4-16(6-9(10,11)12)19(17,18)7-5-15(2)14-8(7)13/h5H,3-4,6H2,1-2H3,(H2,13,14)
InChIKeyJRUFYMHYQNZFSS-UHFFFAOYSA-N
MW300.31 g/mol
LogP0.97
Rot. Bonds5

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

3-amino-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (PubChem CID 61106433) has the molecular formula C9H15F3N4O2S and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-amino-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
PubChem CID61106433
Molecular FormulaC9H15F3N4O2S
Molecular Weight300.31 g/mol
Exact Mass300.09
IUPAC Name3-amino-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C9H15F3N4O2S/c1-3-4-16(6-9(10,11)12)19(17,18)7-5-15(2)14-8(7)13/h5H,3-4,6H2,1-2H3,(H2,13,14)
InChIKeyJRUFYMHYQNZFSS-UHFFFAOYSA-N
XLogP0.97
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (CID 61106433) is 3-amino-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is JRUFYMHYQNZFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4O2S/c1-3-4-16(6-9(10,11)12)19(17,18)7-5-15(2)14-8(7)13/h5H,3-4,6H2,1-2H3,(H2,13,14).
What are the key properties of 3-amino-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
3-amino-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 300.31 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 61106433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).