1-(2-hydroxyethyl)-3,5-dimethyl-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide

C13H25N3O3S2 — CID 106002480

IUPAC1-(2-hydroxyethyl)-3,5-dimethyl-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide
SMILESCSCCCCCNS(=O)(=O)c1c(C)nn(CCO)c1C
InChIInChI=1S/C13H25N3O3S2/c1-11-13(12(2)16(15-11)8-9-17)21(18,19)14-7-5-4-6-10-20-3/h14,17H,4-10H2,1-3H3
InChIKeySELXFRTYTLBKCF-UHFFFAOYSA-N
MW335.50 g/mol
LogP1.30
Rot. Bonds10

About 1-(2-hydroxyethyl)-3,5-dimethyl-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide

1-(2-hydroxyethyl)-3,5-dimethyl-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide (PubChem CID 106002480) has the molecular formula C13H25N3O3S2 and a molecular weight of 335.50 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3,5-dimethyl-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3,5-dimethyl-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide
PubChem CID106002480
Molecular FormulaC13H25N3O3S2
Molecular Weight335.50 g/mol
Exact Mass335.13
IUPAC Name1-(2-hydroxyethyl)-3,5-dimethyl-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide
SMILESCSCCCCCNS(=O)(=O)c1c(C)nn(CCO)c1C
InChIInChI=1S/C13H25N3O3S2/c1-11-13(12(2)16(15-11)8-9-17)21(18,19)14-7-5-4-6-10-20-3/h14,17H,4-10H2,1-3H3
InChIKeySELXFRTYTLBKCF-UHFFFAOYSA-N
XLogP1.30
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 115409002
3-(hydroxymethyl)-5-methyl-N-(5-methylsulfanylpentyl)-1H-pyrazole-4-sulfonamide
CID 106002472
1-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4-sulfonamide
CID 79359859
1-(2-hydroxyethyl)-3,5-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-sulfonamide
CID 106410381
1-(3-aminopropyl)-N-(4-methoxybutyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106054114
N-(2-cyclopropylpropan-2-yl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106001169
1-(3-hydroxypropyl)-3,5-dimethyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrazole-4-sulfonamide
CID 106410502
1,3,5-trimethyl-N-(7-oxooctyl)pyrazole-4-sulfonamide
CID 126821597
7-[(1,3,5-trimethylpyrazol-4-yl)sulfonylamino]heptanoic acid
CID 43241419
N-(2-fluoroethyl)-3,5-dimethyl-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114267232
1-(2-hydroxyethyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide
CID 114551680
3-[4-(3-hydroxybutylsulfamoyl)-3,5-dimethylpyrazol-1-yl]propanoic acid
CID 64927715

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3,5-dimethyl-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2-hydroxyethyl)-3,5-dimethyl-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide (CID 106002480) is 1-(2-hydroxyethyl)-3,5-dimethyl-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-3,5-dimethyl-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2-hydroxyethyl)-3,5-dimethyl-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide is CSCCCCCNS(=O)(=O)c1c(C)nn(CCO)c1C.
What is the InChIKey of 1-(2-hydroxyethyl)-3,5-dimethyl-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide?
The InChIKey is SELXFRTYTLBKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S2/c1-11-13(12(2)16(15-11)8-9-17)21(18,19)14-7-5-4-6-10-20-3/h14,17H,4-10H2,1-3H3.
What are the key properties of 1-(2-hydroxyethyl)-3,5-dimethyl-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide?
1-(2-hydroxyethyl)-3,5-dimethyl-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide has a molecular weight of 335.50 g/mol, XLogP of 1.30, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3,5-dimethyl-N-(5-methylsulfanylpentyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106002480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).