2-[4-(2-methoxyethylsulfonylamino)pyrazol-1-yl]acetic acid

C8H13N3O5S — CID 55009982

IUPAC2-[4-(2-methoxyethylsulfonylamino)pyrazol-1-yl]acetic acid
SMILESCOCCS(=O)(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C8H13N3O5S/c1-16-2-3-17(14,15)10-7-4-9-11(5-7)6-8(12)13/h4-5,10H,2-3,6H2,1H3,(H,12,13)
InChIKeyLGRPKSGERXSRHC-UHFFFAOYSA-N
MW263.27 g/mol
LogP-0.64
Rot. Bonds7

About 2-[4-(2-methoxyethylsulfonylamino)pyrazol-1-yl]acetic acid

2-[4-(2-methoxyethylsulfonylamino)pyrazol-1-yl]acetic acid (PubChem CID 55009982) has the molecular formula C8H13N3O5S and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-[4-(2-methoxyethylsulfonylamino)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-methoxyethylsulfonylamino)pyrazol-1-yl]acetic acid
PubChem CID55009982
Molecular FormulaC8H13N3O5S
Molecular Weight263.27 g/mol
Exact Mass263.06
IUPAC Name2-[4-(2-methoxyethylsulfonylamino)pyrazol-1-yl]acetic acid
SMILESCOCCS(=O)(=O)Nc1cnn(CC(=O)O)c1
InChIInChI=1S/C8H13N3O5S/c1-16-2-3-17(14,15)10-7-4-9-11(5-7)6-8(12)13/h4-5,10H,2-3,6H2,1H3,(H,12,13)
InChIKeyLGRPKSGERXSRHC-UHFFFAOYSA-N
XLogP-0.64
TPSA110.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]sulfamoyl]propanoic acid
CID 60934478
methyl 4-[[1-(2-methoxy-2-oxoethyl)pyrazol-4-yl]sulfamoyl]butanoate
CID 61457309
3-[[1-(2-amino-2-oxoethyl)pyrazol-4-yl]sulfamoyl]propanoic acid
CID 43709814
1-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]methanesulfonamide
CID 63664953
2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582
methyl 2-[4-(methanesulfonamido)pyrazol-1-yl]acetate
CID 61018002
N-cyclopropyl-2-[4-(propylsulfonylamino)pyrazol-1-yl]acetamide
CID 61061294
2-[4-[(1,2-dimethylimidazol-4-yl)sulfonylamino]pyrazol-1-yl]acetic acid
CID 62063149
N-(1-ethylpyrazol-4-yl)-2-hydroxyethanesulfonamide
CID 79026430
2-[4-[(3,5-dichlorophenyl)sulfonylamino]pyrazol-1-yl]acetic acid
CID 61018514
2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43535059
2-[4-(propanoylamino)pyrazol-1-yl]acetic acid
CID 61018204

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethylsulfonylamino)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-methoxyethylsulfonylamino)pyrazol-1-yl]acetic acid (CID 55009982) is 2-[4-(2-methoxyethylsulfonylamino)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-methoxyethylsulfonylamino)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-methoxyethylsulfonylamino)pyrazol-1-yl]acetic acid is COCCS(=O)(=O)Nc1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-(2-methoxyethylsulfonylamino)pyrazol-1-yl]acetic acid?
The InChIKey is LGRPKSGERXSRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O5S/c1-16-2-3-17(14,15)10-7-4-9-11(5-7)6-8(12)13/h4-5,10H,2-3,6H2,1H3,(H,12,13).
What are the key properties of 2-[4-(2-methoxyethylsulfonylamino)pyrazol-1-yl]acetic acid?
2-[4-(2-methoxyethylsulfonylamino)pyrazol-1-yl]acetic acid has a molecular weight of 263.27 g/mol, XLogP of -0.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethylsulfonylamino)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 55009982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).