ethyl 1-(difluoromethyl)-5-sulfamoylpyrazole-4-carboxylate

C7H9F2N3O4S — CID 14616555

IUPACethyl 1-(difluoromethyl)-5-sulfamoylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C(F)F)c1S(N)(=O)=O
InChIInChI=1S/C7H9F2N3O4S/c1-2-16-6(13)4-3-11-12(7(8)9)5(4)17(10,14)15/h3,7H,2H2,1H3,(H2,10,14,15)
InChIKeyUPEGQJKDMBPLGW-UHFFFAOYSA-N
MW269.23 g/mol
LogP0.10
Rot. Bonds4

About ethyl 1-(difluoromethyl)-5-sulfamoylpyrazole-4-carboxylate

ethyl 1-(difluoromethyl)-5-sulfamoylpyrazole-4-carboxylate (PubChem CID 14616555) has the molecular formula C7H9F2N3O4S and a molecular weight of 269.23 g/mol. Its IUPAC name is ethyl 1-(difluoromethyl)-5-sulfamoylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(difluoromethyl)-5-sulfamoylpyrazole-4-carboxylate
PubChem CID14616555
Molecular FormulaC7H9F2N3O4S
Molecular Weight269.23 g/mol
Exact Mass269.03
IUPAC Nameethyl 1-(difluoromethyl)-5-sulfamoylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C(F)F)c1S(N)(=O)=O
InChIInChI=1S/C7H9F2N3O4S/c1-2-16-6(13)4-3-11-12(7(8)9)5(4)17(10,14)15/h3,7H,2H2,1H3,(H2,10,14,15)
InChIKeyUPEGQJKDMBPLGW-UHFFFAOYSA-N
XLogP0.10
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(difluoromethyl)-5-sulfamoylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(difluoromethyl)-5-sulfamoylpyrazole-4-carboxylate (CID 14616555) is ethyl 1-(difluoromethyl)-5-sulfamoylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(difluoromethyl)-5-sulfamoylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(difluoromethyl)-5-sulfamoylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C(F)F)c1S(N)(=O)=O.
What is the InChIKey of ethyl 1-(difluoromethyl)-5-sulfamoylpyrazole-4-carboxylate?
The InChIKey is UPEGQJKDMBPLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O4S/c1-2-16-6(13)4-3-11-12(7(8)9)5(4)17(10,14)15/h3,7H,2H2,1H3,(H2,10,14,15).
What are the key properties of ethyl 1-(difluoromethyl)-5-sulfamoylpyrazole-4-carboxylate?
ethyl 1-(difluoromethyl)-5-sulfamoylpyrazole-4-carboxylate has a molecular weight of 269.23 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(difluoromethyl)-5-sulfamoylpyrazole-4-carboxylate is sourced from PubChem (CID 14616555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).