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

C8H13N3O5S — CID 43511215

IUPAC2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESCC(O)CNS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C8H13N3O5S/c1-6(12)2-10-17(15,16)7-3-9-11(4-7)5-8(13)14/h3-4,6,10,12H,2,5H2,1H3,(H,13,14)
InChIKeyQFTRKLSEJWDLMD-UHFFFAOYSA-N
MW263.27 g/mol
LogP-1.37
Rot. Bonds6

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

2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid (PubChem CID 43511215) has the molecular formula C8H13N3O5S and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
PubChem CID43511215
Molecular FormulaC8H13N3O5S
Molecular Weight263.27 g/mol
Exact Mass263.06
IUPAC Name2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESCC(O)CNS(=O)(=O)c1cnn(CC(=O)O)c1
InChIInChI=1S/C8H13N3O5S/c1-6(12)2-10-17(15,16)7-3-9-11(4-7)5-8(13)14/h3-4,6,10,12H,2,5H2,1H3,(H,13,14)
InChIKeyQFTRKLSEJWDLMD-UHFFFAOYSA-N
XLogP-1.37
TPSA121.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid
CID 107216092
2-[4-(2,3-dihydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 66169743
2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 61166844
2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid
CID 64973990
2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511212
2-[4-(3-ethylpentan-2-ylsulfamoyl)pyrazol-1-yl]acetic acid
CID 63843646
2-[4-(2-pyrrol-1-ylethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 106390652
2-[4-[(1-methoxy-1-oxopropan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60780508
2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 79254017
2-[4-[[1-(ethylamino)-1-oxopropan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 43578551
2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582
2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43535059

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid (CID 43511215) is 2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid is CC(O)CNS(=O)(=O)c1cnn(CC(=O)O)c1.
What is the InChIKey of 2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is QFTRKLSEJWDLMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O5S/c1-6(12)2-10-17(15,16)7-3-9-11(4-7)5-8(13)14/h3-4,6,10,12H,2,5H2,1H3,(H,13,14).
What are the key properties of 2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid?
2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 263.27 g/mol, XLogP of -1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43511215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).