2-[4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid

C11H12N4O5S — CID 60933762

IUPAC2-[4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCn1cc(NS(=O)(=O)c2cnn(CC(=O)O)c2)ccc1=O
InChIInChI=1S/C11H12N4O5S/c1-14-5-8(2-3-10(14)16)13-21(19,20)9-4-12-15(6-9)7-11(17)18/h2-6,13H,7H2,1H3,(H,17,18)
InChIKeyRSPZPYJLYISFML-UHFFFAOYSA-N
MW312.31 g/mol
LogP-0.53
Rot. Bonds5

About 2-[4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid

2-[4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 60933762) has the molecular formula C11H12N4O5S and a molecular weight of 312.31 g/mol. Its IUPAC name is 2-[4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID60933762
Molecular FormulaC11H12N4O5S
Molecular Weight312.31 g/mol
Exact Mass312.05
IUPAC Name2-[4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCn1cc(NS(=O)(=O)c2cnn(CC(=O)O)c2)ccc1=O
InChIInChI=1S/C11H12N4O5S/c1-14-5-8(2-3-10(14)16)13-21(19,20)9-4-12-15(6-9)7-11(17)18/h2-6,13H,7H2,1H3,(H,17,18)
InChIKeyRSPZPYJLYISFML-UHFFFAOYSA-N
XLogP-0.53
TPSA123.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.31
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43535059
2-[4-[(4-bromophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511040
2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582
2-[4-[(2-methylphenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511079
2-[4-[(5-methyl-1,3-thiazol-2-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511036
2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid
CID 64973990
2-[4-(2-hydroxypropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511215
2-[4-[(4-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511127
2-[4-[(2-bromo-6-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 107596854
2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 61166844
2-[4-[3-(hydroxymethyl)pentan-3-ylsulfamoyl]pyrazol-1-yl]acetic acid
CID 62518576
2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511212

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 60933762) is 2-[4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid is Cn1cc(NS(=O)(=O)c2cnn(CC(=O)O)c2)ccc1=O.
What is the InChIKey of 2-[4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is RSPZPYJLYISFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O5S/c1-14-5-8(2-3-10(14)16)13-21(19,20)9-4-12-15(6-9)7-11(17)18/h2-6,13H,7H2,1H3,(H,17,18).
What are the key properties of 2-[4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 312.31 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 60933762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).