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

C9H15F3N4O2S — CID 105358766

IUPAC3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C9H15F3N4O2S/c1-4-16(5-9(10,11)12)19(17,18)7-6(2)15(3)14-8(7)13/h4-5H2,1-3H3,(H2,13,14)
InChIKeyJADCKWNLVHYZEY-UHFFFAOYSA-N
MW300.31 g/mol
LogP0.88
Rot. Bonds4

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

3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (PubChem CID 105358766) has the molecular formula C9H15F3N4O2S and a molecular weight of 300.31 g/mol. Its IUPAC name is 3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
PubChem CID105358766
Molecular FormulaC9H15F3N4O2S
Molecular Weight300.31 g/mol
Exact Mass300.09
IUPAC Name3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C9H15F3N4O2S/c1-4-16(5-9(10,11)12)19(17,18)7-6(2)15(3)14-8(7)13/h4-5H2,1-3H3,(H2,13,14)
InChIKeyJADCKWNLVHYZEY-UHFFFAOYSA-N
XLogP0.88
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide
CID 105357885
3-amino-N-ethyl-1,5-dimethyl-N-prop-2-ynylpyrazole-4-sulfonamide
CID 105359169
methyl 2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-ethylamino]acetate
CID 105358757
N,N-diethyl-1,3,5-trimethylpyrazole-4-sulfonamide
CID 19682136
3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide
CID 106913926
3-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359279
3-amino-N-[(3-fluorophenyl)methyl]-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358201
3-amino-N-(2-hydroxy-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358755
3-amino-N-cyclohexyl-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide
CID 105357969
3-amino-N-(1H-imidazol-2-ylmethyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358992
3-amino-N,1,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 105358783
3-amino-N,1,5-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 105358991

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide (CID 105358766) is 3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is CCN(CC(F)(F)F)S(=O)(=O)c1c(N)nn(C)c1C.
What is the InChIKey of 3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
The InChIKey is JADCKWNLVHYZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4O2S/c1-4-16(5-9(10,11)12)19(17,18)7-6(2)15(3)14-8(7)13/h4-5H2,1-3H3,(H2,13,14).
What are the key properties of 3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide?
3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide has a molecular weight of 300.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 105358766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).