N-[3-(dimethylamino)propyl]-N-ethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide

C13H27N5O2S — CID 102998589

IUPACN-[3-(dimethylamino)propyl]-N-ethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)c1cnn(CCNC)c1
InChIInChI=1S/C13H27N5O2S/c1-5-18(9-6-8-16(3)4)21(19,20)13-11-15-17(12-13)10-7-14-2/h11-12,14H,5-10H2,1-4H3
InChIKeyIXOSWRGGJVBZMW-UHFFFAOYSA-N
MW317.46 g/mol
LogP0.06
Rot. Bonds10

About N-[3-(dimethylamino)propyl]-N-ethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide

N-[3-(dimethylamino)propyl]-N-ethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide (PubChem CID 102998589) has the molecular formula C13H27N5O2S and a molecular weight of 317.46 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-ethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-ethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
PubChem CID102998589
Molecular FormulaC13H27N5O2S
Molecular Weight317.46 g/mol
Exact Mass317.19
IUPAC NameN-[3-(dimethylamino)propyl]-N-ethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
SMILESCCN(CCCN(C)C)S(=O)(=O)c1cnn(CCNC)c1
InChIInChI=1S/C13H27N5O2S/c1-5-18(9-6-8-16(3)4)21(19,20)13-11-15-17(12-13)10-7-14-2/h11-12,14H,5-10H2,1-4H3
InChIKeyIXOSWRGGJVBZMW-UHFFFAOYSA-N
XLogP0.06
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[2-(methylamino)ethyl]-N-(2-methylsulfonylethyl)pyrazole-4-sulfonamide
CID 79864992
3-[4-[butyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43513598
N-[2-(diethylamino)ethyl]-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106035138
N-ethyl-1-(3-hydroxypropyl)-N-(2-methylbutyl)pyrazole-4-sulfonamide
CID 79470196
3-[4-[2-cyanoethyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 60950772
N-methyl-1-[3-(methylamino)propyl]-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide
CID 81064534
N-[3-(dimethylamino)propyl]-N-ethyl-4-(methylamino)benzenesulfonamide
CID 102994804
1-[2-(diethylamino)ethyl]-N,N-dimethylpyrazole-4-sulfonamide
CID 167763013
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(3-hydroxypropyl)pyrazole-4-sulfonamide
CID 103192242
3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 114230136
1-[3-(ethylamino)propyl]-N-methyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide
CID 115988388
5-chloro-N-[3-(dimethylamino)propyl]-N-ethyl-6-(methylamino)pyridine-3-sulfonamide
CID 102996715

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide (CID 102998589) is N-[3-(dimethylamino)propyl]-N-ethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-ethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-ethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide is CCN(CCCN(C)C)S(=O)(=O)c1cnn(CCNC)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-ethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
The InChIKey is IXOSWRGGJVBZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N5O2S/c1-5-18(9-6-8-16(3)4)21(19,20)13-11-15-17(12-13)10-7-14-2/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)propyl]-N-ethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide?
N-[3-(dimethylamino)propyl]-N-ethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide has a molecular weight of 317.46 g/mol, XLogP of 0.06, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-ethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 102998589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).