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

C12H13N3O4S — CID 102690630

IUPAC3-phenyl-3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid
SMILESO=C(O)CC(NS(=O)(=O)c1ccn[nH]1)c1ccccc1
InChIInChI=1S/C12H13N3O4S/c16-12(17)8-10(9-4-2-1-3-5-9)15-20(18,19)11-6-7-13-14-11/h1-7,10,15H,8H2,(H,13,14)(H,16,17)
InChIKeyGQYNSQVXOMJAGG-UHFFFAOYSA-N
MW295.32 g/mol
LogP0.90
Rot. Bonds6

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

3-phenyl-3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid (PubChem CID 102690630) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 3-phenyl-3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name3-phenyl-3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid
PubChem CID102690630
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name3-phenyl-3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid
SMILESO=C(O)CC(NS(=O)(=O)c1ccn[nH]1)c1ccccc1
InChIInChI=1S/C12H13N3O4S/c16-12(17)8-10(9-4-2-1-3-5-9)15-20(18,19)11-6-7-13-14-11/h1-7,10,15H,8H2,(H,13,14)(H,16,17)
InChIKeyGQYNSQVXOMJAGG-UHFFFAOYSA-N
XLogP0.90
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-phenyl-3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-5-sulfonamide
CID 107863427
N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
CID 102692933
(3S)-3-phenyl-3-(1H-1,2,4-triazol-5-ylsulfonylamino)propanoic acid
CID 167837089
methyl 2-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)acetate
CID 102692927
N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-5-sulfonamide
CID 102692706
3-phenyl-3-(1H-pyrrol-3-ylsulfonylamino)propanoic acid
CID 43294270
4-phenyl-2-(1H-pyrazol-5-ylsulfonylamino)butanoic acid
CID 102690972
3-[4-(1H-pyrazol-5-ylsulfonylamino)phenyl]butanoic acid
CID 102690958
3-[(2-methylpyrazol-3-yl)sulfonylamino]-3-phenylpropanoic acid
CID 104709491
3-(1H-pyrazol-5-ylsulfonylamino)butanamide
CID 102693407
(3R)-3-[(2-methylphenyl)sulfonylamino]-3-phenylpropanoic acid
CID 726567
2-(1H-pyrazol-5-ylsulfonylamino)acetic acid
CID 102690627

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid?
The IUPAC name of 3-phenyl-3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid (CID 102690630) is 3-phenyl-3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid.
What is the SMILES notation for 3-phenyl-3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid?
The canonical SMILES for 3-phenyl-3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid is O=C(O)CC(NS(=O)(=O)c1ccn[nH]1)c1ccccc1.
What is the InChIKey of 3-phenyl-3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid?
The InChIKey is GQYNSQVXOMJAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c16-12(17)8-10(9-4-2-1-3-5-9)15-20(18,19)11-6-7-13-14-11/h1-7,10,15H,8H2,(H,13,14)(H,16,17).
What are the key properties of 3-phenyl-3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid?
3-phenyl-3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid has a molecular weight of 295.32 g/mol, XLogP of 0.90, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-(1H-pyrazol-5-ylsulfonylamino)propanoic acid is sourced from PubChem (CID 102690630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).