1-[2-(diethylamino)ethyl]-N,N-dimethylpyrazole-4-sulfonamide

C11H22N4O2S — CID 167763013

IUPAC1-[2-(diethylamino)ethyl]-N,N-dimethylpyrazole-4-sulfonamide
SMILESCCN(CC)CCn1cc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C11H22N4O2S/c1-5-14(6-2)7-8-15-10-11(9-12-15)18(16,17)13(3)4/h9-10H,5-8H2,1-4H3
InChIKeyTWMJIUBKCLEQKV-UHFFFAOYSA-N
MW274.39 g/mol
LogP0.48
Rot. Bonds7

About 1-[2-(diethylamino)ethyl]-N,N-dimethylpyrazole-4-sulfonamide

1-[2-(diethylamino)ethyl]-N,N-dimethylpyrazole-4-sulfonamide (PubChem CID 167763013) has the molecular formula C11H22N4O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-N,N-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-N,N-dimethylpyrazole-4-sulfonamide
PubChem CID167763013
Molecular FormulaC11H22N4O2S
Molecular Weight274.39 g/mol
Exact Mass274.15
IUPAC Name1-[2-(diethylamino)ethyl]-N,N-dimethylpyrazole-4-sulfonamide
SMILESCCN(CC)CCn1cc(S(=O)(=O)N(C)C)cn1
InChIInChI=1S/C11H22N4O2S/c1-5-14(6-2)7-8-15-10-11(9-12-15)18(16,17)13(3)4/h9-10H,5-8H2,1-4H3
InChIKeyTWMJIUBKCLEQKV-UHFFFAOYSA-N
XLogP0.48
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,3-dichloroprop-2-enyl)-N,N-dimethylpyrazole-4-sulfonamide
CID 126837054
N-[2-(diethylamino)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106035138
3-[4-[butyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43513598
3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 114230136
N-[3-(dimethylamino)propyl]-N-ethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 102998589
3-[4-[2-cyanoethyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 60950772
1-(2-aminoethyl)-N-methyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide
CID 112667312
2-[2-[4-(dimethylsulfamoyl)pyrazol-1-yl]ethoxy]benzoic acid
CID 138001967
2-[4-(dipropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511008
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(3-hydroxypropyl)pyrazole-4-sulfonamide
CID 103192242
N-methyl-1-[2-(methylamino)ethyl]-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide
CID 79864992
N-(2-bromoethyl)-N-ethyl-1-methylpyrazole-4-sulfonamide
CID 80676344

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-N,N-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-[2-(diethylamino)ethyl]-N,N-dimethylpyrazole-4-sulfonamide (CID 167763013) is 1-[2-(diethylamino)ethyl]-N,N-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-N,N-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-N,N-dimethylpyrazole-4-sulfonamide is CCN(CC)CCn1cc(S(=O)(=O)N(C)C)cn1.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-N,N-dimethylpyrazole-4-sulfonamide?
The InChIKey is TWMJIUBKCLEQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4O2S/c1-5-14(6-2)7-8-15-10-11(9-12-15)18(16,17)13(3)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-[2-(diethylamino)ethyl]-N,N-dimethylpyrazole-4-sulfonamide?
1-[2-(diethylamino)ethyl]-N,N-dimethylpyrazole-4-sulfonamide has a molecular weight of 274.39 g/mol, XLogP of 0.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-N,N-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 167763013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).