3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide

C9H18N4O2S — CID 105357885

IUPAC3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C9H18N4O2S/c1-5-13(6-2)16(14,15)8-7(3)12(4)11-9(8)10/h5-6H2,1-4H3,(H2,10,11)
InChIKeyUCHUQFGYIJXECA-UHFFFAOYSA-N
MW246.34 g/mol
LogP0.34
Rot. Bonds4

About 3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide

3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 105357885) has the molecular formula C9H18N4O2S and a molecular weight of 246.34 g/mol. Its IUPAC name is 3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID105357885
Molecular FormulaC9H18N4O2S
Molecular Weight246.34 g/mol
Exact Mass246.12
IUPAC Name3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1c(N)nn(C)c1C
InChIInChI=1S/C9H18N4O2S/c1-5-13(6-2)16(14,15)8-7(3)12(4)11-9(8)10/h5-6H2,1-4H3,(H2,10,11)
InChIKeyUCHUQFGYIJXECA-UHFFFAOYSA-N
XLogP0.34
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-ethyl-1,5-dimethyl-N-prop-2-ynylpyrazole-4-sulfonamide
CID 105359169
3-amino-N-ethyl-1,5-dimethyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 105358766
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-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105359279
3-amino-N-cyclohexyl-N-ethyl-1,5-dimethylpyrazole-4-sulfonamide
CID 105357969
ethyl 2-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-propan-2-ylamino]acetate
CID 105358639
3-[(3-amino-1,5-dimethylpyrazol-4-yl)sulfonyl-methylamino]-N-methylpropanamide
CID 106913926
3-amino-N-(2-hydroxy-3-methoxypropyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358755
3-amino-N-(1H-imidazol-2-ylmethyl)-N,1,5-trimethylpyrazole-4-sulfonamide
CID 105358992
3-amino-N,1,5-trimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyrazole-4-sulfonamide
CID 105358991
3-amino-N,1,5-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 105358783

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide (CID 105357885) is 3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide is CCN(CC)S(=O)(=O)c1c(N)nn(C)c1C.
What is the InChIKey of 3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is UCHUQFGYIJXECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4O2S/c1-5-13(6-2)16(14,15)8-7(3)12(4)11-9(8)10/h5-6H2,1-4H3,(H2,10,11).
What are the key properties of 3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide?
3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 246.34 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-diethyl-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 105357885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).