N-(2-aminoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide

C8H13F3N4O2S — CID 107493924

IUPACN-(2-aminoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C8H13F3N4O2S/c1-14-7(2-4-13-14)18(16,17)15(5-3-12)6-8(9,10)11/h2,4H,3,5-6,12H2,1H3
InChIKeyQYYSOZAJLMTFMU-UHFFFAOYSA-N
MW286.28 g/mol
LogP-0.07
Rot. Bonds5

About N-(2-aminoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide

N-(2-aminoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide (PubChem CID 107493924) has the molecular formula C8H13F3N4O2S and a molecular weight of 286.28 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide
PubChem CID107493924
Molecular FormulaC8H13F3N4O2S
Molecular Weight286.28 g/mol
Exact Mass286.07
IUPAC NameN-(2-aminoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide
SMILESCn1nccc1S(=O)(=O)N(CCN)CC(F)(F)F
InChIInChI=1S/C8H13F3N4O2S/c1-14-7(2-4-13-14)18(16,17)15(5-3-12)6-8(9,10)11/h2,4H,3,5-6,12H2,1H3
InChIKeyQYYSOZAJLMTFMU-UHFFFAOYSA-N
XLogP-0.07
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide?
The IUPAC name of N-(2-aminoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide (CID 107493924) is N-(2-aminoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide.
What is the SMILES notation for N-(2-aminoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide?
The canonical SMILES for N-(2-aminoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide is Cn1nccc1S(=O)(=O)N(CCN)CC(F)(F)F.
What is the InChIKey of N-(2-aminoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide?
The InChIKey is QYYSOZAJLMTFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4O2S/c1-14-7(2-4-13-14)18(16,17)15(5-3-12)6-8(9,10)11/h2,4H,3,5-6,12H2,1H3.
What are the key properties of N-(2-aminoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide?
N-(2-aminoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide has a molecular weight of 286.28 g/mol, XLogP of -0.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-methyl-N-(2,2,2-trifluoroethyl)pyrazole-3-sulfonamide is sourced from PubChem (CID 107493924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).