3-amino-N,1-diethyl-N-methylpyrazole-4-sulfonamide

C8H16N4O2S — CID 60807966

IUPAC3-amino-N,1-diethyl-N-methylpyrazole-4-sulfonamide
SMILESCCN(C)S(=O)(=O)c1cn(CC)nc1N
InChIInChI=1S/C8H16N4O2S/c1-4-11(3)15(13,14)7-6-12(5-2)10-8(7)9/h6H,4-5H2,1-3H3,(H2,9,10)
InChIKeyUOOKFOXDVGQASG-UHFFFAOYSA-N
MW232.31 g/mol
LogP0.13
Rot. Bonds4

About 3-amino-N,1-diethyl-N-methylpyrazole-4-sulfonamide

3-amino-N,1-diethyl-N-methylpyrazole-4-sulfonamide (PubChem CID 60807966) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is 3-amino-N,1-diethyl-N-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,1-diethyl-N-methylpyrazole-4-sulfonamide
PubChem CID60807966
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC Name3-amino-N,1-diethyl-N-methylpyrazole-4-sulfonamide
SMILESCCN(C)S(=O)(=O)c1cn(CC)nc1N
InChIInChI=1S/C8H16N4O2S/c1-4-11(3)15(13,14)7-6-12(5-2)10-8(7)9/h6H,4-5H2,1-3H3,(H2,9,10)
InChIKeyUOOKFOXDVGQASG-UHFFFAOYSA-N
XLogP0.13
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-ethyl-N-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 60892701
3-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide
CID 106913973
3-amino-N-cyclopentyl-1-ethyl-N-methylpyrazole-4-sulfonamide
CID 60808791
3-amino-1-ethyl-N-methyl-N-[(2-methylfuran-3-yl)methyl]pyrazole-4-sulfonamide
CID 61426376
3-amino-1-ethyl-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyrazole-4-sulfonamide
CID 55013803
3-amino-1-ethyl-N-[(3-hydroxyphenyl)methyl]-N-methylpyrazole-4-sulfonamide
CID 61139222
3-amino-1-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 61106434
2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-methylacetamide
CID 54922809
2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-ethylamino]-N-ethylacetamide
CID 61114473
3-amino-N-cyclopentyl-N,1-diethylpyrazole-4-sulfonamide
CID 54922474
3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide
CID 60814031
2-[(3-amino-1-ethylpyrazol-4-yl)sulfonyl-propylamino]-N,N-dimethylacetamide
CID 61126808

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,1-diethyl-N-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N,1-diethyl-N-methylpyrazole-4-sulfonamide (CID 60807966) is 3-amino-N,1-diethyl-N-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,1-diethyl-N-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,1-diethyl-N-methylpyrazole-4-sulfonamide is CCN(C)S(=O)(=O)c1cn(CC)nc1N.
What is the InChIKey of 3-amino-N,1-diethyl-N-methylpyrazole-4-sulfonamide?
The InChIKey is UOOKFOXDVGQASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-4-11(3)15(13,14)7-6-12(5-2)10-8(7)9/h6H,4-5H2,1-3H3,(H2,9,10).
What are the key properties of 3-amino-N,1-diethyl-N-methylpyrazole-4-sulfonamide?
3-amino-N,1-diethyl-N-methylpyrazole-4-sulfonamide has a molecular weight of 232.31 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,1-diethyl-N-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 60807966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).