3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid

C10H17N3O5S — CID 114230136

IUPAC3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESCN(CCCO)S(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C10H17N3O5S/c1-12(4-2-6-14)19(17,18)9-7-11-13(8-9)5-3-10(15)16/h7-8,14H,2-6H2,1H3,(H,15,16)
InChIKeyUEPYDQLGUQMDTQ-UHFFFAOYSA-N
MW291.33 g/mol
LogP-0.64
Rot. Bonds8

About 3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid

3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 114230136) has the molecular formula C10H17N3O5S and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid
PubChem CID114230136
Molecular FormulaC10H17N3O5S
Molecular Weight291.33 g/mol
Exact Mass291.09
IUPAC Name3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESCN(CCCO)S(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C10H17N3O5S/c1-12(4-2-6-14)19(17,18)9-7-11-13(8-9)5-3-10(15)16/h7-8,14H,2-6H2,1H3,(H,15,16)
InChIKeyUEPYDQLGUQMDTQ-UHFFFAOYSA-N
XLogP-0.64
TPSA112.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]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

3-[4-[butyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43513598
4-[methyl-(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43361582
3-[4-[2-cyanoethyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 60950772
3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 106840456
2-[4-[3-hydroxypropyl(propan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 61039541
1-(2-hydroxyethyl)-N-methyl-N-(2-propan-2-yloxyethyl)pyrazole-4-sulfonamide
CID 81067928
3-[4-[propan-2-yl(prop-2-enyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 60952039
3-[4-[methyl(thiolan-3-yl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43513718
2-[4-[but-3-enyl(methyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 114265136
3-[4-[cyclopentyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43541006
3-[4-(ethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513520
2-[4-(dipropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511008

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid (CID 114230136) is 3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid is CN(CCCO)S(=O)(=O)c1cnn(CCC(=O)O)c1.
What is the InChIKey of 3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is UEPYDQLGUQMDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5S/c1-12(4-2-6-14)19(17,18)9-7-11-13(8-9)5-3-10(15)16/h7-8,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 291.33 g/mol, XLogP of -0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-hydroxypropyl(methyl)sulfamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 114230136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).