ethyl 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate

C8H10F3N3O4S — CID 54933927

IUPACethyl 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H10F3N3O4S/c1-2-18-7(15)5-3-12-14-6(5)19(16,17)13-4-8(9,10)11/h3,13H,2,4H2,1H3,(H,12,14)
InChIKeyXNTYCZMHTPFSHD-UHFFFAOYSA-N
MW301.25 g/mol
LogP0.43
Rot. Bonds5

About ethyl 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate

ethyl 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate (PubChem CID 54933927) has the molecular formula C8H10F3N3O4S and a molecular weight of 301.25 g/mol. Its IUPAC name is ethyl 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate
PubChem CID54933927
Molecular FormulaC8H10F3N3O4S
Molecular Weight301.25 g/mol
Exact Mass301.03
IUPAC Nameethyl 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H10F3N3O4S/c1-2-18-7(15)5-3-12-14-6(5)19(16,17)13-4-8(9,10)11/h3,13H,2,4H2,1H3,(H,12,14)
InChIKeyXNTYCZMHTPFSHD-UHFFFAOYSA-N
XLogP0.43
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate (CID 54933927) is ethyl 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of ethyl 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate?
The InChIKey is XNTYCZMHTPFSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O4S/c1-2-18-7(15)5-3-12-14-6(5)19(16,17)13-4-8(9,10)11/h3,13H,2,4H2,1H3,(H,12,14).
What are the key properties of ethyl 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate?
ethyl 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate has a molecular weight of 301.25 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(2,2,2-trifluoroethylsulfamoyl)-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 54933927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).