N-(1-ethoxy-3-methylbutan-2-yl)-1-(3-hydroxypropyl)pyrazole-4-sulfonamide

C13H25N3O4S — CID 106002543

IUPACN-(1-ethoxy-3-methylbutan-2-yl)-1-(3-hydroxypropyl)pyrazole-4-sulfonamide
SMILESCCOCC(NS(=O)(=O)c1cnn(CCCO)c1)C(C)C
InChIInChI=1S/C13H25N3O4S/c1-4-20-10-13(11(2)3)15-21(18,19)12-8-14-16(9-12)6-5-7-17/h8-9,11,13,15,17H,4-7,10H2,1-3H3
InChIKeyNIMPAAYTJCISBO-UHFFFAOYSA-N
MW319.43 g/mol
LogP0.60
Rot. Bonds10

About N-(1-ethoxy-3-methylbutan-2-yl)-1-(3-hydroxypropyl)pyrazole-4-sulfonamide

N-(1-ethoxy-3-methylbutan-2-yl)-1-(3-hydroxypropyl)pyrazole-4-sulfonamide (PubChem CID 106002543) has the molecular formula C13H25N3O4S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(1-ethoxy-3-methylbutan-2-yl)-1-(3-hydroxypropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-ethoxy-3-methylbutan-2-yl)-1-(3-hydroxypropyl)pyrazole-4-sulfonamide
PubChem CID106002543
Molecular FormulaC13H25N3O4S
Molecular Weight319.43 g/mol
Exact Mass319.16
IUPAC NameN-(1-ethoxy-3-methylbutan-2-yl)-1-(3-hydroxypropyl)pyrazole-4-sulfonamide
SMILESCCOCC(NS(=O)(=O)c1cnn(CCCO)c1)C(C)C
InChIInChI=1S/C13H25N3O4S/c1-4-20-10-13(11(2)3)15-21(18,19)12-8-14-16(9-12)6-5-7-17/h8-9,11,13,15,17H,4-7,10H2,1-3H3
InChIKeyNIMPAAYTJCISBO-UHFFFAOYSA-N
XLogP0.60
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-ethoxypropan-2-yl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106054208
N-(1-methoxypropan-2-yl)-1-[3-(propylamino)propyl]pyrazole-4-sulfonamide
CID 106057219
2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 79254017
1-[3-(ethylamino)propyl]-N-(3-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106053678
N-(1-cyclopropylethyl)-1-(2-hydroxyethyl)pyrazole-4-sulfonamide
CID 114133664
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-1-(3-hydroxypropyl)pyrazole-4-sulfonamide
CID 103192242
N-(1-ethoxy-3-methylbutan-2-yl)-1-methyl-5-(methylaminomethyl)pyrrole-3-sulfonamide
CID 106093833
4-acetyl-N-(1-ethoxy-3-methylbutan-2-yl)benzenesulfonamide
CID 103270402
3-[4-(3-methylpentan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 61463326
1-[3-(ethylamino)propyl]-N-(4-methylpentan-2-yl)pyrazole-4-sulfonamide
CID 106028314
1-[3-(ethylamino)propyl]-N-(1-methylsulfanylpropan-2-yl)pyrazole-4-sulfonamide
CID 106079543
1-(2-hydroxyethyl)-N-(2-methylsulfanylpropyl)pyrazole-4-sulfonamide
CID 114135391

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-1-(3-hydroxypropyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(1-ethoxy-3-methylbutan-2-yl)-1-(3-hydroxypropyl)pyrazole-4-sulfonamide (CID 106002543) is N-(1-ethoxy-3-methylbutan-2-yl)-1-(3-hydroxypropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-ethoxy-3-methylbutan-2-yl)-1-(3-hydroxypropyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-ethoxy-3-methylbutan-2-yl)-1-(3-hydroxypropyl)pyrazole-4-sulfonamide is CCOCC(NS(=O)(=O)c1cnn(CCCO)c1)C(C)C.
What is the InChIKey of N-(1-ethoxy-3-methylbutan-2-yl)-1-(3-hydroxypropyl)pyrazole-4-sulfonamide?
The InChIKey is NIMPAAYTJCISBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4S/c1-4-20-10-13(11(2)3)15-21(18,19)12-8-14-16(9-12)6-5-7-17/h8-9,11,13,15,17H,4-7,10H2,1-3H3.
What are the key properties of N-(1-ethoxy-3-methylbutan-2-yl)-1-(3-hydroxypropyl)pyrazole-4-sulfonamide?
N-(1-ethoxy-3-methylbutan-2-yl)-1-(3-hydroxypropyl)pyrazole-4-sulfonamide has a molecular weight of 319.43 g/mol, XLogP of 0.60, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxy-3-methylbutan-2-yl)-1-(3-hydroxypropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106002543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).