3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid

C10H17N3O5S — CID 106840456

IUPAC3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)NCCCCO)cn1
InChIInChI=1S/C10H17N3O5S/c14-6-2-1-4-12-19(17,18)9-7-11-13(8-9)5-3-10(15)16/h7-8,12,14H,1-6H2,(H,15,16)
InChIKeyJJQISUNWNXYPOO-UHFFFAOYSA-N
MW291.33 g/mol
LogP-0.59
Rot. Bonds9

About 3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid

3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid (PubChem CID 106840456) has the molecular formula C10H17N3O5S and a molecular weight of 291.33 g/mol. Its IUPAC name is 3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
PubChem CID106840456
Molecular FormulaC10H17N3O5S
Molecular Weight291.33 g/mol
Exact Mass291.09
IUPAC Name3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
SMILESO=C(O)CCn1cc(S(=O)(=O)NCCCCO)cn1
InChIInChI=1S/C10H17N3O5S/c14-6-2-1-4-12-19(17,18)9-7-11-13(8-9)5-3-10(15)16/h7-8,12,14H,1-6H2,(H,15,16)
InChIKeyJJQISUNWNXYPOO-UHFFFAOYSA-N
XLogP-0.59
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[4-(4-hydroxybutylsulfamoyl)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-(hexylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513674
3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 60919802
3-[4-(ethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513520
3-[4-(2-cyanoethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 55102482
3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 64927716
3-[4-(prop-2-enylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513626
3-[4-(prop-2-ynylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513629
5-[(1-methylpyrazol-4-yl)sulfonylamino]pentanoic acid
CID 62033979
2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511212
3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid
CID 107216092
4-[(1-methylpyrazol-4-yl)sulfonylamino]butanoic acid
CID 43361171
3-[4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43568411

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid (CID 106840456) is 3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid is O=C(O)CCn1cc(S(=O)(=O)NCCCCO)cn1.
What is the InChIKey of 3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid?
The InChIKey is JJQISUNWNXYPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5S/c14-6-2-1-4-12-19(17,18)9-7-11-13(8-9)5-3-10(15)16/h7-8,12,14H,1-6H2,(H,15,16).
What are the key properties of 3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid?
3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid has a molecular weight of 291.33 g/mol, XLogP of -0.59, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 106840456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).