N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(3-hydroxypropyl)pyrazole-4-sulfonamide

C13H26N4O3S — CID 103192242

IUPACN-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(3-hydroxypropyl)pyrazole-4-sulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1cnn(CCCO)c1
InChIInChI=1S/C13H26N4O3S/c1-5-17(12(2)10-15(3)4)21(19,20)13-9-14-16(11-13)7-6-8-18/h9,11-12,18H,5-8,10H2,1-4H3
InChIKeyBDWSTHPNWXSTDJ-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.23
Rot. Bonds9

About N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(3-hydroxypropyl)pyrazole-4-sulfonamide

N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(3-hydroxypropyl)pyrazole-4-sulfonamide (PubChem CID 103192242) has the molecular formula C13H26N4O3S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(3-hydroxypropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(3-hydroxypropyl)pyrazole-4-sulfonamide
PubChem CID103192242
Molecular FormulaC13H26N4O3S
Molecular Weight318.44 g/mol
Exact Mass318.17
IUPAC NameN-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(3-hydroxypropyl)pyrazole-4-sulfonamide
SMILESCCN(C(C)CN(C)C)S(=O)(=O)c1cnn(CCCO)c1
InChIInChI=1S/C13H26N4O3S/c1-5-17(12(2)10-15(3)4)21(19,20)13-9-14-16(11-13)7-6-8-18/h9,11-12,18H,5-8,10H2,1-4H3
InChIKeyBDWSTHPNWXSTDJ-UHFFFAOYSA-N
XLogP0.23
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-1-(3-hydroxypropyl)-N-(2-methylbutyl)pyrazole-4-sulfonamide
CID 79470196
2-[4-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 61039541
N-(1-ethoxy-3-methylbutan-2-yl)-1-(3-hydroxypropyl)pyrazole-4-sulfonamide
CID 106002543
N-[3-(dimethylamino)propyl]-N-ethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 102998589
3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 114230136
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-hydroxypropyl)pyrazole-4-sulfonamide
CID 107455994
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 103192204
1-(2-hydroxyethyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide
CID 81067928
1-[2-(diethylamino)ethyl]-N,N-dimethylpyrazole-4-sulfonamide
CID 167763013
3-[4-[butyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43513598
4-acetyl-N-[1-(dimethylamino)propan-2-yl]-N-ethylbenzenesulfonamide
CID 103189656
5-(4-methylsulfonylpyrazol-1-yl)pentan-2-ol
CID 165472463

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(3-hydroxypropyl)pyrazole-4-sulfonamide?
The IUPAC name of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(3-hydroxypropyl)pyrazole-4-sulfonamide (CID 103192242) is N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(3-hydroxypropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(3-hydroxypropyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(3-hydroxypropyl)pyrazole-4-sulfonamide is CCN(C(C)CN(C)C)S(=O)(=O)c1cnn(CCCO)c1.
What is the InChIKey of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(3-hydroxypropyl)pyrazole-4-sulfonamide?
The InChIKey is BDWSTHPNWXSTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3S/c1-5-17(12(2)10-15(3)4)21(19,20)13-9-14-16(11-13)7-6-8-18/h9,11-12,18H,5-8,10H2,1-4H3.
What are the key properties of N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(3-hydroxypropyl)pyrazole-4-sulfonamide?
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(3-hydroxypropyl)pyrazole-4-sulfonamide has a molecular weight of 318.44 g/mol, XLogP of 0.23, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(3-hydroxypropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 103192242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).