5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

C8H13F3N4O2S — CID 61106246

IUPAC5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C8H13F3N4O2S/c1-2-3-15(5-8(9,10)11)18(16,17)6-4-13-14-7(6)12/h4H,2-3,5H2,1H3,(H3,12,13,14)
InChIKeyAYYIPTNREGQICK-UHFFFAOYSA-N
MW286.28 g/mol
LogP0.95
Rot. Bonds5

About 5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 61106246) has the molecular formula C8H13F3N4O2S and a molecular weight of 286.28 g/mol. Its IUPAC name is 5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID61106246
Molecular FormulaC8H13F3N4O2S
Molecular Weight286.28 g/mol
Exact Mass286.07
IUPAC Name5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C8H13F3N4O2S/c1-2-3-15(5-8(9,10)11)18(16,17)6-4-13-14-7(6)12/h4H,2-3,5H2,1H3,(H3,12,13,14)
InChIKeyAYYIPTNREGQICK-UHFFFAOYSA-N
XLogP0.95
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 61106246) is 5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is AYYIPTNREGQICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4O2S/c1-2-3-15(5-8(9,10)11)18(16,17)6-4-13-14-7(6)12/h4H,2-3,5H2,1H3,(H3,12,13,14).
What are the key properties of 5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 286.28 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61106246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).