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

C8H10F3N3O4S — CID 55011616

IUPAC5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C8H10F3N3O4S/c1-2-14(4-8(9,10)11)19(17,18)6-5(7(15)16)3-12-13-6/h3H,2,4H2,1H3,(H,12,13)(H,15,16)
InChIKeyDXGHKAPVIAUBSL-UHFFFAOYSA-N
MW301.25 g/mol
LogP0.68
Rot. Bonds5

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

5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 55011616) has the molecular formula C8H10F3N3O4S and a molecular weight of 301.25 g/mol. Its IUPAC name is 5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID55011616
Molecular FormulaC8H10F3N3O4S
Molecular Weight301.25 g/mol
Exact Mass301.03
IUPAC Name5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1[nH]ncc1C(=O)O
InChIInChI=1S/C8H10F3N3O4S/c1-2-14(4-8(9,10)11)19(17,18)6-5(7(15)16)3-12-13-6/h3H,2,4H2,1H3,(H,12,13)(H,15,16)
InChIKeyDXGHKAPVIAUBSL-UHFFFAOYSA-N
XLogP0.68
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 55011616) is 5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is CCN(CC(F)(F)F)S(=O)(=O)c1[nH]ncc1C(=O)O.
What is the InChIKey of 5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is DXGHKAPVIAUBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O4S/c1-2-14(4-8(9,10)11)19(17,18)6-5(7(15)16)3-12-13-6/h3H,2,4H2,1H3,(H,12,13)(H,15,16).
What are the key properties of 5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 301.25 g/mol, XLogP of 0.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 55011616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).