N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide

C9H17N3O4S — CID 113346258

IUPACN-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCOCC(CCO)NS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C9H17N3O4S/c1-7-9(5-10-11-7)17(14,15)12-8(3-4-13)6-16-2/h5,8,12-13H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyQBZOUFGDQLSVTP-UHFFFAOYSA-N
MW263.32 g/mol
LogP-0.61
Rot. Bonds7

About N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 113346258) has the molecular formula C9H17N3O4S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID113346258
Molecular FormulaC9H17N3O4S
Molecular Weight263.32 g/mol
Exact Mass263.09
IUPAC NameN-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCOCC(CCO)NS(=O)(=O)c1cn[nH]c1C
InChIInChI=1S/C9H17N3O4S/c1-7-9(5-10-11-7)17(14,15)12-8(3-4-13)6-16-2/h5,8,12-13H,3-4,6H2,1-2H3,(H,10,11)
InChIKeyQBZOUFGDQLSVTP-UHFFFAOYSA-N
XLogP-0.61
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 113346258) is N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide is COCC(CCO)NS(=O)(=O)c1cn[nH]c1C.
What is the InChIKey of N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is QBZOUFGDQLSVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4S/c1-7-9(5-10-11-7)17(14,15)12-8(3-4-13)6-16-2/h5,8,12-13H,3-4,6H2,1-2H3,(H,10,11).
What are the key properties of N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 263.32 g/mol, XLogP of -0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 113346258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).