3-[4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid

C12H14N4O4S — CID 43513637

IUPAC3-[4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESCc1ccc(NS(=O)(=O)c2cnn(CCC(=O)O)c2)nc1
InChIInChI=1S/C12H14N4O4S/c1-9-2-3-11(13-6-9)15-21(19,20)10-7-14-16(8-10)5-4-12(17)18/h2-3,6-8H,4-5H2,1H3,(H,13,15)(H,17,18)
InChIKeyYEWPUCALPYAKTJ-UHFFFAOYSA-N
MW310.34 g/mol
LogP0.86
Rot. Bonds6

About 3-[4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid

3-[4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid (PubChem CID 43513637) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is 3-[4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid
PubChem CID43513637
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC Name3-[4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid
SMILESCc1ccc(NS(=O)(=O)c2cnn(CCC(=O)O)c2)nc1
InChIInChI=1S/C12H14N4O4S/c1-9-2-3-11(13-6-9)15-21(19,20)10-7-14-16(8-10)5-4-12(17)18/h2-3,6-8H,4-5H2,1H3,(H,13,15)(H,17,18)
InChIKeyYEWPUCALPYAKTJ-UHFFFAOYSA-N
XLogP0.86
TPSA114.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-[(5-bromo-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid
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3-[4-(pyrimidin-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513624
3-[4-(ethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513520
3-[4-(1,3-thiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513480
2-[4-[(4-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]acetic acid
CID 43511127
3-[4-(prop-2-ynylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513629
3-[4-(1,3,4-thiadiazol-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513639
3-[4-[[(2S)-2-hydroxypropyl]sulfamoyl]pyrazol-1-yl]propanoic acid
CID 107216092
3-[4-(2-methylsulfonylethylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 60919802
3-[4-(3-methylpentan-2-ylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 61463326
3-[4-(prop-2-enylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 43513626

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-[4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid (CID 43513637) is 3-[4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid is Cc1ccc(NS(=O)(=O)c2cnn(CCC(=O)O)c2)nc1.
What is the InChIKey of 3-[4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
The InChIKey is YEWPUCALPYAKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-9-2-3-11(13-6-9)15-21(19,20)10-7-14-16(8-10)5-4-12(17)18/h2-3,6-8H,4-5H2,1H3,(H,13,15)(H,17,18).
What are the key properties of 3-[4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid?
3-[4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid has a molecular weight of 310.34 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-methyl-2-pyridinyl)sulfamoyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 43513637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).