3-[4-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid

C12H20N4O4S — CID 106019277

IUPAC3-[4-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid
SMILESCN1CCCC1CNS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C12H20N4O4S/c1-15-5-2-3-10(15)7-14-21(19,20)11-8-13-16(9-11)6-4-12(17)18/h8-10,14H,2-7H2,1H3,(H,17,18)
InChIKeyRRRZYRRZPBAQAL-UHFFFAOYSA-N
MW316.38 g/mol
LogP-0.27
Rot. Bonds7

About 3-[4-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid

3-[4-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 106019277) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-[4-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid
PubChem CID106019277
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Name3-[4-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid
SMILESCN1CCCC1CNS(=O)(=O)c1cnn(CCC(=O)O)c1
InChIInChI=1S/C12H20N4O4S/c1-15-5-2-3-10(15)7-14-21(19,20)11-8-13-16(9-11)6-4-12(17)18/h8-10,14H,2-7H2,1H3,(H,17,18)
InChIKeyRRRZYRRZPBAQAL-UHFFFAOYSA-N
XLogP-0.27
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(methylamino)propyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazole-4-sulfonamide
CID 106094798
1-(3-aminopropyl)-N-[(1-methylpiperidin-2-yl)methyl]pyrazole-4-sulfonamide
CID 106051046
2-[4-[(1-ethylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]acetic acid
CID 43511064
3-[4-(ethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513520
3-[4-[[2-(cyclopropylamino)-2-oxoethyl]sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43568411
3-[4-(prop-2-ynylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513629
3-[4-[(1-methylpyrazol-4-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid
CID 61349658
3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid
CID 107216092
3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 60919802
3-[4-(cyclopentyloxysulfamoyl)pyrazol-1-yl]propanoic acid
CID 83229001
3-[4-[[(1R,2R)-2-hydroxycyclohexyl]sulfamoyl]pyrazol-1-yl]propanoic acid
CID 107216274
1-ethyl-4-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]pyrrole-2-carboxylic acid
CID 106019286

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid (CID 106019277) is 3-[4-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid is CN1CCCC1CNS(=O)(=O)c1cnn(CCC(=O)O)c1.
What is the InChIKey of 3-[4-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is RRRZYRRZPBAQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-15-5-2-3-10(15)7-14-21(19,20)11-8-13-16(9-11)6-4-12(17)18/h8-10,14H,2-7H2,1H3,(H,17,18).
What are the key properties of 3-[4-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid?
3-[4-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 316.38 g/mol, XLogP of -0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(1-methylpyrrolidin-2-yl)methylsulfamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 106019277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).