3-[4-[2-(dimethylamino)ethylsulfamoyl]pyrazol-1-yl]propanoic acid

C10H18N4O4S — CID 43513517

IUPAC3-[4-[2-(dimethylamino)ethylsulfamoyl]pyrazol-1-yl]propanoic acid
SMILESCN(C)CCNS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C10H18N4O4S/c1-13(2)6-4-12-19(17,18)9-7-11-14(8-9)5-3-10(15)16/h7-8,12H,3-6H2,1-2H3,(H,15,16)
InChIKeyFOKVTHFOJDZJAW-UHFFFAOYSA-N
MW290.35 g/mol
LogP-0.80
Rot. Bonds8

About 3-[4-[2-(dimethylamino)ethylsulfamoyl]pyrazol-1-yl]propanoic acid

3-[4-[2-(dimethylamino)ethylsulfamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 43513517) has the molecular formula C10H18N4O4S and a molecular weight of 290.35 g/mol. Its IUPAC name is 3-[4-[2-(dimethylamino)ethylsulfamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-(dimethylamino)ethylsulfamoyl]pyrazol-1-yl]propanoic acid
PubChem CID43513517
Molecular FormulaC10H18N4O4S
Molecular Weight290.35 g/mol
Exact Mass290.10
IUPAC Name3-[4-[2-(dimethylamino)ethylsulfamoyl]pyrazol-1-yl]propanoic acid
SMILESCN(C)CCNS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C10H18N4O4S/c1-13(2)6-4-12-19(17,18)9-7-11-14(8-9)5-3-10(15)16/h7-8,12H,3-6H2,1-2H3,(H,15,16)
InChIKeyFOKVTHFOJDZJAW-UHFFFAOYSA-N
XLogP-0.80
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(dimethylamino)ethylsulfamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[2-(dimethylamino)ethylsulfamoyl]pyrazol-1-yl]propanoic acid (CID 43513517) is 3-[4-[2-(dimethylamino)ethylsulfamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[2-(dimethylamino)ethylsulfamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[2-(dimethylamino)ethylsulfamoyl]pyrazol-1-yl]propanoic acid is CN(C)CCNS(=O)(=O)c1cnn(CCC(=O)O)c1.
What is the InChIKey of 3-[4-[2-(dimethylamino)ethylsulfamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is FOKVTHFOJDZJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O4S/c1-13(2)6-4-12-19(17,18)9-7-11-14(8-9)5-3-10(15)16/h7-8,12H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 3-[4-[2-(dimethylamino)ethylsulfamoyl]pyrazol-1-yl]propanoic acid?
3-[4-[2-(dimethylamino)ethylsulfamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 290.35 g/mol, XLogP of -0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(dimethylamino)ethylsulfamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 43513517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).