5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

C7H9F2N3O5S — CID 106168619

IUPAC5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C7H9F2N3O5S/c8-7(9,3-13)2-11-18(16,17)5-4(6(14)15)1-10-12-5/h1,11,13H,2-3H2,(H,10,12)(H,14,15)
InChIKeyURXLMHOEYKZJFE-UHFFFAOYSA-N
MW285.23 g/mol
LogP-0.99
Rot. Bonds6

About 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 106168619) has the molecular formula C7H9F2N3O5S and a molecular weight of 285.23 g/mol. Its IUPAC name is 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID106168619
Molecular FormulaC7H9F2N3O5S
Molecular Weight285.23 g/mol
Exact Mass285.02
IUPAC Name5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NCC(F)(F)CO
InChIInChI=1S/C7H9F2N3O5S/c8-7(9,3-13)2-11-18(16,17)5-4(6(14)15)1-10-12-5/h1,11,13H,2-3H2,(H,10,12)(H,14,15)
InChIKeyURXLMHOEYKZJFE-UHFFFAOYSA-N
XLogP-0.99
TPSA132.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 5-0.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1H-Pyrazole-4-carboxylic acid, 3-(aminosulfonyl)-
CID 3075398
1H-Pyrazole-4-carboxylic acid, 3-(aminosulfonyl)-, ethyl ester
CID 3024591
ethyl 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 54933927
5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 54933972
5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 55011616
5-(3,3,3-trifluoropropylsulfamoyl)-1H-pyrazole-4-carboxylic acid
CID 55175721
5-[methyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60912418
5-[3-(trifluoromethyl)piperidin-1-yl]sulfonyl-1H-pyrazole-4-carboxylic acid
CID 60917879
5-[propyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60950211
5-[2-methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60950219
5-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60950783
5-[propan-2-yl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60951442

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 106168619) is 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1S(=O)(=O)NCC(F)(F)CO.
What is the InChIKey of 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is URXLMHOEYKZJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O5S/c8-7(9,3-13)2-11-18(16,17)5-4(6(14)15)1-10-12-5/h1,11,13H,2-3H2,(H,10,12)(H,14,15).
What are the key properties of 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 285.23 g/mol, XLogP of -0.99, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 106168619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).