5-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

C8H10F3N3O5S — CID 60950783

IUPAC5-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H10F3N3O5S/c9-8(10,11)4-14(1-2-15)20(18,19)6-5(7(16)17)3-12-13-6/h3,15H,1-2,4H2,(H,12,13)(H,16,17)
InChIKeyCPQUMMAIYXGAPC-UHFFFAOYSA-N
MW317.25 g/mol
LogP-0.35
Rot. Bonds6

About 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 60950783) has the molecular formula C8H10F3N3O5S and a molecular weight of 317.25 g/mol. Its IUPAC name is 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID60950783
Molecular FormulaC8H10F3N3O5S
Molecular Weight317.25 g/mol
Exact Mass317.03
IUPAC Name5-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)N(CCO)CC(F)(F)F
InChIInChI=1S/C8H10F3N3O5S/c9-8(10,11)4-14(1-2-15)20(18,19)6-5(7(16)17)3-12-13-6/h3,15H,1-2,4H2,(H,12,13)(H,16,17)
InChIKeyCPQUMMAIYXGAPC-UHFFFAOYSA-N
XLogP-0.35
TPSA123.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 60950783) is 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1S(=O)(=O)N(CCO)CC(F)(F)F.
What is the InChIKey of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is CPQUMMAIYXGAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O5S/c9-8(10,11)4-14(1-2-15)20(18,19)6-5(7(16)17)3-12-13-6/h3,15H,1-2,4H2,(H,12,13)(H,16,17).
What are the key properties of 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 317.25 g/mol, XLogP of -0.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxyethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 60950783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).