3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

C11H19F3N4O2S — CID 105358505

IUPAC3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCCCCN(CC(F)(F)F)S(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C11H19F3N4O2S/c1-4-5-6-18(7-11(12,13)14)21(19,20)9-8(2)17(3)16-10(9)15/h4-7H2,1-3H3,(H2,15,16)
InChIKeyXLJOGAYTTVADFY-UHFFFAOYSA-N
MW328.36 g/mol
LogP1.66
Rot. Bonds6

About 3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide

3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (PubChem CID 105358505) has the molecular formula C11H19F3N4O2S and a molecular weight of 328.36 g/mol. Its IUPAC name is 3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
PubChem CID105358505
Molecular FormulaC11H19F3N4O2S
Molecular Weight328.36 g/mol
Exact Mass328.12
IUPAC Name3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCCCCN(CC(F)(F)F)S(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C11H19F3N4O2S/c1-4-5-6-18(7-11(12,13)14)21(19,20)9-8(2)17(3)16-10(9)15/h4-7H2,1-3H3,(H2,15,16)
InChIKeyXLJOGAYTTVADFY-UHFFFAOYSA-N
XLogP1.66
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-aminopropyl)-N,3,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 65774931
1-(3-aminopropyl)-3,5-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 65797269
1-(3-aminopropyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 65801480
N-(4-amino-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83068393
N-(1,5-Dimethyl-1H-pyrazol-3-yl)-1-ethyl-5-fluoro-3-methyl-1H-pyrazole-4-sulfonamide
CID 91969597
3-amino-N,1,5-trimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358452
3-amino-1,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358506
3-amino-1,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358515
3-amino-1,5-dimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358547
3-amino-N-(2-hydroxyethyl)-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358606
1,5-Dimethyl-4-[3-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazol-3-amine
CID 105358655
3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358766

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (CID 105358505) is 3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is CCCCN(CC(F)(F)F)S(=O)(=O)c1c(N)nn(C)c1C.
What is the InChIKey of 3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is XLJOGAYTTVADFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4O2S/c1-4-5-6-18(7-11(12,13)14)21(19,20)9-8(2)17(3)16-10(9)15/h4-7H2,1-3H3,(H2,15,16).
What are the key properties of 3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 328.36 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 105358505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).