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

C7H11F3N4O2S — CID 60809899

IUPAC3-amino-1-ethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(F)(F)F)c(N)n1
InChIInChI=1S/C7H11F3N4O2S/c1-2-14-3-5(6(11)13-14)17(15,16)12-4-7(8,9)10/h3,12H,2,4H2,1H3,(H2,11,13)
InChIKeyVXVJYQDABHYPIA-UHFFFAOYSA-N
MW272.25 g/mol
LogP0.33
Rot. Bonds4

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

3-amino-1-ethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (PubChem CID 60809899) has the molecular formula C7H11F3N4O2S and a molecular weight of 272.25 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
PubChem CID60809899
Molecular FormulaC7H11F3N4O2S
Molecular Weight272.25 g/mol
Exact Mass272.06
IUPAC Name3-amino-1-ethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)NCC(F)(F)F)c(N)n1
InChIInChI=1S/C7H11F3N4O2S/c1-2-14-3-5(6(11)13-14)17(15,16)12-4-7(8,9)10/h3,12H,2,4H2,1H3,(H2,11,13)
InChIKeyVXVJYQDABHYPIA-UHFFFAOYSA-N
XLogP0.33
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-ethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (CID 60809899) is 3-amino-1-ethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-ethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-ethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)NCC(F)(F)F)c(N)n1.
What is the InChIKey of 3-amino-1-ethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is VXVJYQDABHYPIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4O2S/c1-2-14-3-5(6(11)13-14)17(15,16)12-4-7(8,9)10/h3,12H,2,4H2,1H3,(H2,11,13).
What are the key properties of 3-amino-1-ethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
3-amino-1-ethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 272.25 g/mol, XLogP of 0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 60809899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).