3-(difluoromethylsulfonylamino)-1H-pyrazole-5-carboxylic acid

C5H5F2N3O4S — CID 64529253

IUPAC3-(difluoromethylsulfonylamino)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NS(=O)(=O)C(F)F)n[nH]1
InChIInChI=1S/C5H5F2N3O4S/c6-5(7)15(13,14)10-3-1-2(4(11)12)8-9-3/h1,5H,(H,11,12)(H2,8,9,10)
InChIKeyHSOAZBVGXTWVDW-UHFFFAOYSA-N
MW241.18 g/mol
LogP0.07
Rot. Bonds4

About 3-(difluoromethylsulfonylamino)-1H-pyrazole-5-carboxylic acid

3-(difluoromethylsulfonylamino)-1H-pyrazole-5-carboxylic acid (PubChem CID 64529253) has the molecular formula C5H5F2N3O4S and a molecular weight of 241.18 g/mol. Its IUPAC name is 3-(difluoromethylsulfonylamino)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethylsulfonylamino)-1H-pyrazole-5-carboxylic acid
PubChem CID64529253
Molecular FormulaC5H5F2N3O4S
Molecular Weight241.18 g/mol
Exact Mass241.00
IUPAC Name3-(difluoromethylsulfonylamino)-1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1cc(NS(=O)(=O)C(F)F)n[nH]1
InChIInChI=1S/C5H5F2N3O4S/c6-5(7)15(13,14)10-3-1-2(4(11)12)8-9-3/h1,5H,(H,11,12)(H2,8,9,10)
InChIKeyHSOAZBVGXTWVDW-UHFFFAOYSA-N
XLogP0.07
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.18
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfonylamino)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(difluoromethylsulfonylamino)-1H-pyrazole-5-carboxylic acid (CID 64529253) is 3-(difluoromethylsulfonylamino)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(difluoromethylsulfonylamino)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(difluoromethylsulfonylamino)-1H-pyrazole-5-carboxylic acid is O=C(O)c1cc(NS(=O)(=O)C(F)F)n[nH]1.
What is the InChIKey of 3-(difluoromethylsulfonylamino)-1H-pyrazole-5-carboxylic acid?
The InChIKey is HSOAZBVGXTWVDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F2N3O4S/c6-5(7)15(13,14)10-3-1-2(4(11)12)8-9-3/h1,5H,(H,11,12)(H2,8,9,10).
What are the key properties of 3-(difluoromethylsulfonylamino)-1H-pyrazole-5-carboxylic acid?
3-(difluoromethylsulfonylamino)-1H-pyrazole-5-carboxylic acid has a molecular weight of 241.18 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfonylamino)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64529253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).