3-[(5-fluoro-2-pyridinyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid

C10H9FN4O4S — CID 65480263

IUPAC3-[(5-fluoro-2-pyridinyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]nc(S(=O)(=O)Nc2ccc(F)cn2)c1C(=O)O
InChIInChI=1S/C10H9FN4O4S/c1-5-8(10(16)17)9(14-13-5)20(18,19)15-7-3-2-6(11)4-12-7/h2-4H,1H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyQOCOXOTYIOETOE-UHFFFAOYSA-N
MW300.27 g/mol
LogP0.75
Rot. Bonds4

About 3-[(5-fluoro-2-pyridinyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid

3-[(5-fluoro-2-pyridinyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid (PubChem CID 65480263) has the molecular formula C10H9FN4O4S and a molecular weight of 300.27 g/mol. Its IUPAC name is 3-[(5-fluoro-2-pyridinyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[(5-fluoro-2-pyridinyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid
PubChem CID65480263
Molecular FormulaC10H9FN4O4S
Molecular Weight300.27 g/mol
Exact Mass300.03
IUPAC Name3-[(5-fluoro-2-pyridinyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid
SMILESCc1[nH]nc(S(=O)(=O)Nc2ccc(F)cn2)c1C(=O)O
InChIInChI=1S/C10H9FN4O4S/c1-5-8(10(16)17)9(14-13-5)20(18,19)15-7-3-2-6(11)4-12-7/h2-4H,1H3,(H,12,15)(H,13,14)(H,16,17)
InChIKeyQOCOXOTYIOETOE-UHFFFAOYSA-N
XLogP0.75
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluoro-2-pyridinyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 3-[(5-fluoro-2-pyridinyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid (CID 65480263) is 3-[(5-fluoro-2-pyridinyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-[(5-fluoro-2-pyridinyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 3-[(5-fluoro-2-pyridinyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid is Cc1[nH]nc(S(=O)(=O)Nc2ccc(F)cn2)c1C(=O)O.
What is the InChIKey of 3-[(5-fluoro-2-pyridinyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid?
The InChIKey is QOCOXOTYIOETOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O4S/c1-5-8(10(16)17)9(14-13-5)20(18,19)15-7-3-2-6(11)4-12-7/h2-4H,1H3,(H,12,15)(H,13,14)(H,16,17).
What are the key properties of 3-[(5-fluoro-2-pyridinyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid?
3-[(5-fluoro-2-pyridinyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid has a molecular weight of 300.27 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluoro-2-pyridinyl)sulfamoyl]-5-methyl-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 65480263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).