5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid

C8H8F3N3O4S — CID 106209139

IUPAC5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H8F3N3O4S/c9-8(10,11)7(1-2-7)14-19(17,18)5-4(6(15)16)3-12-13-5/h3,14H,1-2H2,(H,12,13)(H,15,16)
InChIKeyPLUIGSQJYVFNAZ-UHFFFAOYSA-N
MW299.23 g/mol
LogP0.48
Rot. Bonds4

About 5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid

5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid (PubChem CID 106209139) has the molecular formula C8H8F3N3O4S and a molecular weight of 299.23 g/mol. Its IUPAC name is 5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
PubChem CID106209139
Molecular FormulaC8H8F3N3O4S
Molecular Weight299.23 g/mol
Exact Mass299.02
IUPAC Name5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid
SMILESO=C(O)c1cn[nH]c1S(=O)(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C8H8F3N3O4S/c9-8(10,11)7(1-2-7)14-19(17,18)5-4(6(15)16)3-12-13-5/h3,14H,1-2H2,(H,12,13)(H,15,16)
InChIKeyPLUIGSQJYVFNAZ-UHFFFAOYSA-N
XLogP0.48
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid with MolForge

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Related Compounds

1H-Pyrazole-4-carboxylic acid, 3-(aminosulfonyl)-
CID 3075398
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
5-[butyl(2,2,2-trifluoroethyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60951717

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The IUPAC name of 5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid (CID 106209139) is 5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The canonical SMILES for 5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid is O=C(O)c1cn[nH]c1S(=O)(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid?
The InChIKey is PLUIGSQJYVFNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O4S/c9-8(10,11)7(1-2-7)14-19(17,18)5-4(6(15)16)3-12-13-5/h3,14H,1-2H2,(H,12,13)(H,15,16).
What are the key properties of 5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid?
5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid has a molecular weight of 299.23 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(trifluoromethyl)cyclopropyl]sulfamoyl]-1H-pyrazole-4-carboxylic acid is sourced from PubChem (CID 106209139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).