5-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide

C8H16N4O4S — CID 54993848

IUPAC5-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C8H16N4O4S/c1-12(4-6(13)5-16-2)17(14,15)7-3-10-11-8(7)9/h3,6,13H,4-5H2,1-2H3,(H3,9,10,11)
InChIKeyUGZOAXCNSAIQHR-UHFFFAOYSA-N
MW264.31 g/mol
LogP-1.38
Rot. Bonds6

About 5-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide

5-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 54993848) has the molecular formula C8H16N4O4S and a molecular weight of 264.31 g/mol. Its IUPAC name is 5-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide
PubChem CID54993848
Molecular FormulaC8H16N4O4S
Molecular Weight264.31 g/mol
Exact Mass264.09
IUPAC Name5-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCOCC(O)CN(C)S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C8H16N4O4S/c1-12(4-6(13)5-16-2)17(14,15)7-3-10-11-8(7)9/h3,6,13H,4-5H2,1-2H3,(H3,9,10,11)
InChIKeyUGZOAXCNSAIQHR-UHFFFAOYSA-N
XLogP-1.38
TPSA121.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide (CID 54993848) is 5-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide is COCC(O)CN(C)S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 5-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is UGZOAXCNSAIQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O4S/c1-12(4-6(13)5-16-2)17(14,15)7-3-10-11-8(7)9/h3,6,13H,4-5H2,1-2H3,(H3,9,10,11).
What are the key properties of 5-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide?
5-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 264.31 g/mol, XLogP of -1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-hydroxy-3-methoxypropyl)-N-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54993848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).