2-[3,5-dimethyl-4-(pyrrol-1-ylsulfamoyl)pyrazol-1-yl]acetic acid

C11H14N4O4S — CID 79089986

IUPAC2-[3,5-dimethyl-4-(pyrrol-1-ylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESCc1nn(CC(=O)O)c(C)c1S(=O)(=O)Nn1cccc1
InChIInChI=1S/C11H14N4O4S/c1-8-11(9(2)15(12-8)7-10(16)17)20(18,19)13-14-5-3-4-6-14/h3-6,13H,7H2,1-2H3,(H,16,17)
InChIKeyCLAZHNCAJFAYBN-UHFFFAOYSA-N
MW298.32 g/mol
LogP0.32
Rot. Bonds5

About 2-[3,5-dimethyl-4-(pyrrol-1-ylsulfamoyl)pyrazol-1-yl]acetic acid

2-[3,5-dimethyl-4-(pyrrol-1-ylsulfamoyl)pyrazol-1-yl]acetic acid (PubChem CID 79089986) has the molecular formula C11H14N4O4S and a molecular weight of 298.32 g/mol. Its IUPAC name is 2-[3,5-dimethyl-4-(pyrrol-1-ylsulfamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3,5-dimethyl-4-(pyrrol-1-ylsulfamoyl)pyrazol-1-yl]acetic acid
PubChem CID79089986
Molecular FormulaC11H14N4O4S
Molecular Weight298.32 g/mol
Exact Mass298.07
IUPAC Name2-[3,5-dimethyl-4-(pyrrol-1-ylsulfamoyl)pyrazol-1-yl]acetic acid
SMILESCc1nn(CC(=O)O)c(C)c1S(=O)(=O)Nn1cccc1
InChIInChI=1S/C11H14N4O4S/c1-8-11(9(2)15(12-8)7-10(16)17)20(18,19)13-14-5-3-4-6-14/h3-6,13H,7H2,1-2H3,(H,16,17)
InChIKeyCLAZHNCAJFAYBN-UHFFFAOYSA-N
XLogP0.32
TPSA106.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.32
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-4-(pyrrol-1-ylsulfamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3,5-dimethyl-4-(pyrrol-1-ylsulfamoyl)pyrazol-1-yl]acetic acid (CID 79089986) is 2-[3,5-dimethyl-4-(pyrrol-1-ylsulfamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3,5-dimethyl-4-(pyrrol-1-ylsulfamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3,5-dimethyl-4-(pyrrol-1-ylsulfamoyl)pyrazol-1-yl]acetic acid is Cc1nn(CC(=O)O)c(C)c1S(=O)(=O)Nn1cccc1.
What is the InChIKey of 2-[3,5-dimethyl-4-(pyrrol-1-ylsulfamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is CLAZHNCAJFAYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4S/c1-8-11(9(2)15(12-8)7-10(16)17)20(18,19)13-14-5-3-4-6-14/h3-6,13H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-[3,5-dimethyl-4-(pyrrol-1-ylsulfamoyl)pyrazol-1-yl]acetic acid?
2-[3,5-dimethyl-4-(pyrrol-1-ylsulfamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 298.32 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-4-(pyrrol-1-ylsulfamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 79089986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).