3-(4,4,4-trifluorobutylsulfonylamino)-1H-pyrazole-5-carboxylic acid

C8H10F3N3O4S — CID 83067956

IUPAC3-(4,4,4-trifluorobutylsulfonylamino)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NS(=O)(=O)CCCC(F)(F)F)n[nH]1
InChIInChI=1S/C8H10F3N3O4S/c9-8(10,11)2-1-3-19(17,18)14-6-4-5(7(15)16)12-13-6/h4H,1-3H2,(H,15,16)(H2,12,13,14)
InChIKeyLYZFSJRNCUGHDN-UHFFFAOYSA-N
MW301.25 g/mol
LogP1.19
Rot. Bonds6

About 3-(4,4,4-trifluorobutylsulfonylamino)-1H-pyrazole-5-carboxylic acid

3-(4,4,4-trifluorobutylsulfonylamino)-1H-pyrazole-5-carboxylic acid (PubChem CID 83067956) has the molecular formula C8H10F3N3O4S and a molecular weight of 301.25 g/mol. Its IUPAC name is 3-(4,4,4-trifluorobutylsulfonylamino)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4,4,4-trifluorobutylsulfonylamino)-1H-pyrazole-5-carboxylic acid
PubChem CID83067956
Molecular FormulaC8H10F3N3O4S
Molecular Weight301.25 g/mol
Exact Mass301.03
IUPAC Name3-(4,4,4-trifluorobutylsulfonylamino)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NS(=O)(=O)CCCC(F)(F)F)n[nH]1
InChIInChI=1S/C8H10F3N3O4S/c9-8(10,11)2-1-3-19(17,18)14-6-4-5(7(15)16)12-13-6/h4H,1-3H2,(H,15,16)(H2,12,13,14)
InChIKeyLYZFSJRNCUGHDN-UHFFFAOYSA-N
XLogP1.19
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(4,4,4-trifluorobutylsulfonylamino)-1H-pyrazole-5-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 3-(4,4,4-trifluorobutylsulfonylamino)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(4,4,4-trifluorobutylsulfonylamino)-1H-pyrazole-5-carboxylic acid (CID 83067956) is 3-(4,4,4-trifluorobutylsulfonylamino)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(4,4,4-trifluorobutylsulfonylamino)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(4,4,4-trifluorobutylsulfonylamino)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(NS(=O)(=O)CCCC(F)(F)F)n[nH]1.
What is the InChIKey of 3-(4,4,4-trifluorobutylsulfonylamino)-1H-pyrazole-5-carboxylic acid?
The InChIKey is LYZFSJRNCUGHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O4S/c9-8(10,11)2-1-3-19(17,18)14-6-4-5(7(15)16)12-13-6/h4H,1-3H2,(H,15,16)(H2,12,13,14).
What are the key properties of 3-(4,4,4-trifluorobutylsulfonylamino)-1H-pyrazole-5-carboxylic acid?
3-(4,4,4-trifluorobutylsulfonylamino)-1H-pyrazole-5-carboxylic acid has a molecular weight of 301.25 g/mol, XLogP of 1.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,4-trifluorobutylsulfonylamino)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 83067956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).