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

C11H12N4O4S — CID 43511127

IUPAC2-[4-[(4-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCc1ccnc(NS(=O)(=O)c2cnn(CC(=O)O)c2)c1
InChIInChI=1S/C11H12N4O4S/c1-8-2-3-12-10(4-8)14-20(18,19)9-5-13-15(6-9)7-11(16)17/h2-6H,7H2,1H3,(H,12,14)(H,16,17)
InChIKeyCDPCZEIJIDWWBL-UHFFFAOYSA-N
MW296.31 g/mol
LogP0.47
Rot. Bonds5

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

2-[4-[(4-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid (PubChem CID 43511127) has the molecular formula C11H12N4O4S and a molecular weight of 296.31 g/mol. Its IUPAC name is 2-[4-[(4-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(4-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid
PubChem CID43511127
Molecular FormulaC11H12N4O4S
Molecular Weight296.31 g/mol
Exact Mass296.06
IUPAC Name2-[4-[(4-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid
SMILESCc1ccnc(NS(=O)(=O)c2cnn(CC(=O)O)c2)c1
InChIInChI=1S/C11H12N4O4S/c1-8-2-3-12-10(4-8)14-20(18,19)9-5-13-15(6-9)7-11(16)17/h2-6H,7H2,1H3,(H,12,14)(H,16,17)
InChIKeyCDPCZEIJIDWWBL-UHFFFAOYSA-N
XLogP0.47
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
3-[4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43513637
2-[4-[(1-methylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43535059
2-[4-[(1-ethylpyrazol-4-yl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43543582
2-[4-[(4-bromophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511040
2-[(4-methyl-2-pyridinyl)sulfamoyl]acetic acid
CID 28774374
2-[4-(methoxysulfamoyl)pyrazol-1-yl]acetic acid
CID 64973990
2-[4-(2-hydroxyethylsulfamoyl)pyrazol-1-yl]acetic acid
CID 43511212
2-[4-[(1-methyl-6-oxo-3-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 60933762
2-[4-[(5-bromo-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43555600
2-[4-[(4-chloro-2-fluorophenyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511161

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-[(4-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid (CID 43511127) is 2-[4-[(4-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[(4-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-[(4-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid is Cc1ccnc(NS(=O)(=O)c2cnn(CC(=O)O)c2)c1.
What is the InChIKey of 2-[4-[(4-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid?
The InChIKey is CDPCZEIJIDWWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S/c1-8-2-3-12-10(4-8)14-20(18,19)9-5-13-15(6-9)7-11(16)17/h2-6H,7H2,1H3,(H,12,14)(H,16,17).
What are the key properties of 2-[4-[(4-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid?
2-[4-[(4-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid has a molecular weight of 296.31 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 43511127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).