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

C10H17F3N4O2S — CID 105358506

IUPAC3-amino-1,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C10H17F3N4O2S/c1-4-5-17(6-10(11,12)13)20(18,19)8-7(2)16(3)15-9(8)14/h4-6H2,1-3H3,(H2,14,15)
InChIKeySMBSWVWTVAAZBJ-UHFFFAOYSA-N
MW314.33 g/mol
LogP1.27
Rot. Bonds5

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

3-amino-1,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (PubChem CID 105358506) has the molecular formula C10H17F3N4O2S and a molecular weight of 314.33 g/mol. Its IUPAC name is 3-amino-1,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
PubChem CID105358506
Molecular FormulaC10H17F3N4O2S
Molecular Weight314.33 g/mol
Exact Mass314.10
IUPAC Name3-amino-1,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCCCN(CC(F)(F)F)S(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C10H17F3N4O2S/c1-4-5-17(6-10(11,12)13)20(18,19)8-7(2)16(3)15-9(8)14/h4-6H2,1-3H3,(H2,14,15)
InChIKeySMBSWVWTVAAZBJ-UHFFFAOYSA-N
XLogP1.27
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.27
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-N-butyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358505
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-1,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (CID 105358506) is 3-amino-1,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is CCCN(CC(F)(F)F)S(=O)(=O)c1c(N)nn(C)c1C.
What is the InChIKey of 3-amino-1,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is SMBSWVWTVAAZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4O2S/c1-4-5-17(6-10(11,12)13)20(18,19)8-7(2)16(3)15-9(8)14/h4-6H2,1-3H3,(H2,14,15).
What are the key properties of 3-amino-1,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
3-amino-1,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 314.33 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,5-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 105358506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).