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

C11H17F3N4O2S — CID 61115024

IUPAC3-amino-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C11H17F3N4O2S/c1-7(8-3-4-8)18(6-11(12,13)14)21(19,20)9-5-17(2)16-10(9)15/h5,7-8H,3-4,6H2,1-2H3,(H2,15,16)
InChIKeyNPDQARKKBWQBFK-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.35
Rot. Bonds5

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

3-amino-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (PubChem CID 61115024) has the molecular formula C11H17F3N4O2S and a molecular weight of 326.34 g/mol. Its IUPAC name is 3-amino-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
PubChem CID61115024
Molecular FormulaC11H17F3N4O2S
Molecular Weight326.34 g/mol
Exact Mass326.10
IUPAC Name3-amino-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCC(C1CC1)N(CC(F)(F)F)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C11H17F3N4O2S/c1-7(8-3-4-8)18(6-11(12,13)14)21(19,20)9-5-17(2)16-10(9)15/h5,7-8H,3-4,6H2,1-2H3,(H2,15,16)
InChIKeyNPDQARKKBWQBFK-UHFFFAOYSA-N
XLogP1.35
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (CID 61115024) is 3-amino-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is CC(C1CC1)N(CC(F)(F)F)S(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is NPDQARKKBWQBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O2S/c1-7(8-3-4-8)18(6-11(12,13)14)21(19,20)9-5-17(2)16-10(9)15/h5,7-8H,3-4,6H2,1-2H3,(H2,15,16).
What are the key properties of 3-amino-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
3-amino-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 326.34 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-cyclopropylethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 61115024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).