2-[4-(2,3-dihydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid

C8H13N3O6S — CID 66169743

IUPAC2-[4-(2,3-dihydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)NCC(O)CO)cn1
InChIInChI=1S/C8H13N3O6S/c12-5-6(13)1-10-18(16,17)7-2-9-11(3-7)4-8(14)15/h2-3,6,10,12-13H,1,4-5H2,(H,14,15)
InChIKeyLCBNNJPLMOMUGR-UHFFFAOYSA-N
MW279.27 g/mol
LogP-2.40
Rot. Bonds7

About 2-[4-(2,3-dihydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid

2-[4-(2,3-dihydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid (PubChem CID 66169743) has the molecular formula C8H13N3O6S and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-[4-(2,3-dihydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,3-dihydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
PubChem CID66169743
Molecular FormulaC8H13N3O6S
Molecular Weight279.27 g/mol
Exact Mass279.05
IUPAC Name2-[4-(2,3-dihydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)NCC(O)CO)cn1
InChIInChI=1S/C8H13N3O6S/c12-5-6(13)1-10-18(16,17)7-2-9-11(3-7)4-8(14)15/h2-3,6,10,12-13H,1,4-5H2,(H,14,15)
InChIKeyLCBNNJPLMOMUGR-UHFFFAOYSA-N
XLogP-2.40
TPSA141.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 5-2.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511215
2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511212
2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 61166844
2-[4-[[(2R)-1-hydroxybutan-2-yl]sulfamoyl]pyrazol-1-yl]acetic acid
CID 107216136
2-[4-[(1-hydroxy-3-methylbutan-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 79254017
2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid
CID 64973990
2-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]pyrazol-1-yl]acetic acid
CID 62497992
2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582
2-[4-(2-pyrrol-1-ylethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 106390652
3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid
CID 107216092
1-ethyl-N-(2-hydroxy-3-phenylpropyl)pyrazole-4-sulfonamide
CID 71911354
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-(2,3-dihydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2,3-dihydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid (CID 66169743) is 2-[4-(2,3-dihydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,3-dihydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2,3-dihydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(S(=O)(=O)NCC(O)CO)cn1.
What is the InChIKey of 2-[4-(2,3-dihydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is LCBNNJPLMOMUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O6S/c12-5-6(13)1-10-18(16,17)7-2-9-11(3-7)4-8(14)15/h2-3,6,10,12-13H,1,4-5H2,(H,14,15).
What are the key properties of 2-[4-(2,3-dihydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid?
2-[4-(2,3-dihydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 279.27 g/mol, XLogP of -2.40, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 66169743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).