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

C6H9N3O4S — CID 102690628

IUPAC3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid
SMILESO=C(O)CCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C6H9N3O4S/c10-6(11)2-4-8-14(12,13)5-1-3-7-9-5/h1,3,8H,2,4H2,(H,7,9)(H,10,11)
InChIKeyXAQWKAQBDVNXFY-UHFFFAOYSA-N
MW219.22 g/mol
LogP-0.84
Rot. Bonds5

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

3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid (PubChem CID 102690628) has the molecular formula C6H9N3O4S and a molecular weight of 219.22 g/mol. Its IUPAC name is 3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid
PubChem CID102690628
Molecular FormulaC6H9N3O4S
Molecular Weight219.22 g/mol
Exact Mass219.03
IUPAC Name3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid
SMILESO=C(O)CCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C6H9N3O4S/c10-6(11)2-4-8-14(12,13)5-1-3-7-9-5/h1,3,8H,2,4H2,(H,7,9)(H,10,11)
InChIKeyXAQWKAQBDVNXFY-UHFFFAOYSA-N
XLogP-0.84
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 5-0.84
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)propanoic acid?
The IUPAC name of 3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid (CID 102690628) is 3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid.
What is the SMILES notation for 3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid?
The canonical SMILES for 3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid is O=C(O)CCNS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of 3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid?
The InChIKey is XAQWKAQBDVNXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O4S/c10-6(11)2-4-8-14(12,13)5-1-3-7-9-5/h1,3,8H,2,4H2,(H,7,9)(H,10,11).
What are the key properties of 3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid?
3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid has a molecular weight of 219.22 g/mol, XLogP of -0.84, 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)propanoic acid is sourced from PubChem (CID 102690628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).