3-(1H-pyrazol-5-ylsulfonylamino)butanoic acid

C7H11N3O4S — CID 102690679

IUPAC3-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
SMILESCC(CC(=O)O)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C7H11N3O4S/c1-5(4-7(11)12)10-15(13,14)6-2-3-8-9-6/h2-3,5,10H,4H2,1H3,(H,8,9)(H,11,12)
InChIKeySEBUJICPKZPKTG-UHFFFAOYSA-N
MW233.25 g/mol
LogP-0.45
Rot. Bonds5

About 3-(1H-pyrazol-5-ylsulfonylamino)butanoic acid

3-(1H-pyrazol-5-ylsulfonylamino)butanoic acid (PubChem CID 102690679) has the molecular formula C7H11N3O4S and a molecular weight of 233.25 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name3-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
PubChem CID102690679
Molecular FormulaC7H11N3O4S
Molecular Weight233.25 g/mol
Exact Mass233.05
IUPAC Name3-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
SMILESCC(CC(=O)O)NS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C7H11N3O4S/c1-5(4-7(11)12)10-15(13,14)6-2-3-8-9-6/h2-3,5,10H,4H2,1H3,(H,8,9)(H,11,12)
InChIKeySEBUJICPKZPKTG-UHFFFAOYSA-N
XLogP-0.45
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrazol-5-ylsulfonylamino)butanoic acid?
The IUPAC name of 3-(1H-pyrazol-5-ylsulfonylamino)butanoic acid (CID 102690679) is 3-(1H-pyrazol-5-ylsulfonylamino)butanoic acid.
What is the SMILES notation for 3-(1H-pyrazol-5-ylsulfonylamino)butanoic acid?
The canonical SMILES for 3-(1H-pyrazol-5-ylsulfonylamino)butanoic acid is CC(CC(=O)O)NS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of 3-(1H-pyrazol-5-ylsulfonylamino)butanoic acid?
The InChIKey is SEBUJICPKZPKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4S/c1-5(4-7(11)12)10-15(13,14)6-2-3-8-9-6/h2-3,5,10H,4H2,1H3,(H,8,9)(H,11,12).
What are the key properties of 3-(1H-pyrazol-5-ylsulfonylamino)butanoic acid?
3-(1H-pyrazol-5-ylsulfonylamino)butanoic acid has a molecular weight of 233.25 g/mol, XLogP of -0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrazol-5-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 102690679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).