2-(1H-pyrazol-4-ylmethylsulfamoyl)propanoic acid

C7H11N3O4S — CID 61458135

IUPAC2-(1H-pyrazol-4-ylmethylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C7H11N3O4S/c1-5(7(11)12)15(13,14)10-4-6-2-8-9-3-6/h2-3,5,10H,4H2,1H3,(H,8,9)(H,11,12)
InChIKeyDCGLYDSZBGXLSH-UHFFFAOYSA-N
MW233.25 g/mol
LogP-0.70
Rot. Bonds5

About 2-(1H-pyrazol-4-ylmethylsulfamoyl)propanoic acid

2-(1H-pyrazol-4-ylmethylsulfamoyl)propanoic acid (PubChem CID 61458135) has the molecular formula C7H11N3O4S and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-ylmethylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-(1H-pyrazol-4-ylmethylsulfamoyl)propanoic acid
PubChem CID61458135
Molecular FormulaC7H11N3O4S
Molecular Weight233.25 g/mol
Exact Mass233.05
IUPAC Name2-(1H-pyrazol-4-ylmethylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCc1cn[nH]c1
InChIInChI=1S/C7H11N3O4S/c1-5(7(11)12)15(13,14)10-4-6-2-8-9-3-6/h2-3,5,10H,4H2,1H3,(H,8,9)(H,11,12)
InChIKeyDCGLYDSZBGXLSH-UHFFFAOYSA-N
XLogP-0.70
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(ethylamino)-N-(1H-pyrazol-4-ylmethyl)propane-2-sulfonamide
CID 106016143
2-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 60735981
2-[(2-methoxy-4-pyridinyl)methylsulfamoyl]propanoic acid
CID 55141905
3-methyl-2-(1H-pyrazol-4-ylmethylcarbamoylamino)butanoic acid
CID 54982274
2-methyl-N-(1H-pyrazol-4-ylmethyl)butanamide
CID 60735814
2-[[3-(methoxymethyl)phenyl]methylsulfamoyl]propanoic acid
CID 61458173
3,4-dimethyl-5-(1H-pyrazol-4-ylmethylsulfamoyl)benzoic acid
CID 60999441
4-(1-aminoethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54982271
N-(1H-pyrazol-4-ylmethyl)propan-2-amine
CID 61000273
1-[4-(ethylaminomethyl)phenyl]-N-(1H-pyrazol-4-ylmethyl)methanesulfonamide
CID 106016045
4-[[[benzyl(methyl)sulfamoyl]amino]methyl]-1H-pyrazole
CID 54895504
2-methylpropyl N-(1H-pyrazol-4-ylmethyl)carbamate
CID 61004410

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-ylmethylsulfamoyl)propanoic acid?
The IUPAC name of 2-(1H-pyrazol-4-ylmethylsulfamoyl)propanoic acid (CID 61458135) is 2-(1H-pyrazol-4-ylmethylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-(1H-pyrazol-4-ylmethylsulfamoyl)propanoic acid?
The canonical SMILES for 2-(1H-pyrazol-4-ylmethylsulfamoyl)propanoic acid is CC(C(=O)O)S(=O)(=O)NCc1cn[nH]c1.
What is the InChIKey of 2-(1H-pyrazol-4-ylmethylsulfamoyl)propanoic acid?
The InChIKey is DCGLYDSZBGXLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4S/c1-5(7(11)12)15(13,14)10-4-6-2-8-9-3-6/h2-3,5,10H,4H2,1H3,(H,8,9)(H,11,12).
What are the key properties of 2-(1H-pyrazol-4-ylmethylsulfamoyl)propanoic acid?
2-(1H-pyrazol-4-ylmethylsulfamoyl)propanoic acid has a molecular weight of 233.25 g/mol, XLogP of -0.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-ylmethylsulfamoyl)propanoic acid is sourced from PubChem (CID 61458135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).