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

C11H14N4O4S — CID 106390652

IUPAC2-[4-(2-pyrrol-1-ylethylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)NCCn2cccc2)cn1
InChIInChI=1S/C11H14N4O4S/c16-11(17)9-15-8-10(7-12-15)20(18,19)13-3-6-14-4-1-2-5-14/h1-2,4-5,7-8,13H,3,6,9H2,(H,16,17)
InChIKeyCVKCAMMWDPWYRT-UHFFFAOYSA-N
MW298.32 g/mol
LogP-0.25
Rot. Bonds7

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

2-[4-(2-pyrrol-1-ylethylsulfamoyl)pyrazol-1-yl]acetic acid (PubChem CID 106390652) has the molecular formula C11H14N4O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-[4-(2-pyrrol-1-ylethylsulfamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-pyrrol-1-ylethylsulfamoyl)pyrazol-1-yl]acetic acid
PubChem CID106390652
Molecular FormulaC11H14N4O4S
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name2-[4-(2-pyrrol-1-ylethylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(S(=O)(=O)NCCn2cccc2)cn1
InChIInChI=1S/C11H14N4O4S/c16-11(17)9-15-8-10(7-12-15)20(18,19)13-3-6-14-4-1-2-5-14/h1-2,4-5,7-8,13H,3,6,9H2,(H,16,17)
InChIKeyCVKCAMMWDPWYRT-UHFFFAOYSA-N
XLogP-0.25
TPSA106.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511212
2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511215
2-[4-[2-(2-hydroxyethoxy)ethylsulfamoyl]pyrazol-1-yl]acetic acid
CID 62497992
2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 61166844
2-[4-(2,3-dihydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 66169743
2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid
CID 64973990
3-[4-(2-cyanoethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 55102482
2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43535059
3-[4-(3-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 64927716
3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 106840456
3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 60919802
2-[4-[(2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511079

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-pyrrol-1-ylethylsulfamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(2-pyrrol-1-ylethylsulfamoyl)pyrazol-1-yl]acetic acid (CID 106390652) is 2-[4-(2-pyrrol-1-ylethylsulfamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-pyrrol-1-ylethylsulfamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2-pyrrol-1-ylethylsulfamoyl)pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(S(=O)(=O)NCCn2cccc2)cn1.
What is the InChIKey of 2-[4-(2-pyrrol-1-ylethylsulfamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is CVKCAMMWDPWYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S/c16-11(17)9-15-8-10(7-12-15)20(18,19)13-3-6-14-4-1-2-5-14/h1-2,4-5,7-8,13H,3,6,9H2,(H,16,17).
What are the key properties of 2-[4-(2-pyrrol-1-ylethylsulfamoyl)pyrazol-1-yl]acetic acid?
2-[4-(2-pyrrol-1-ylethylsulfamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 298.32 g/mol, XLogP of -0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-pyrrol-1-ylethylsulfamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 106390652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).