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

C7H10FN3O4S — CID 14616554

IUPACethyl 1-(fluoromethyl)-5-sulfamoylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CF)c1S(N)(=O)=O
InChIInChI=1S/C7H10FN3O4S/c1-2-15-7(12)5-3-10-11(4-8)6(5)16(9,13)14/h3H,2,4H2,1H3,(H2,9,13,14)
InChIKeyRWBBSXMSJSKWEL-UHFFFAOYSA-N
MW251.24 g/mol
LogP-0.37
Rot. Bonds4

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

ethyl 1-(fluoromethyl)-5-sulfamoylpyrazole-4-carboxylate (PubChem CID 14616554) has the molecular formula C7H10FN3O4S and a molecular weight of 251.24 g/mol. Its IUPAC name is ethyl 1-(fluoromethyl)-5-sulfamoylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(fluoromethyl)-5-sulfamoylpyrazole-4-carboxylate
PubChem CID14616554
Molecular FormulaC7H10FN3O4S
Molecular Weight251.24 g/mol
Exact Mass251.04
IUPAC Nameethyl 1-(fluoromethyl)-5-sulfamoylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CF)c1S(N)(=O)=O
InChIInChI=1S/C7H10FN3O4S/c1-2-15-7(12)5-3-10-11(4-8)6(5)16(9,13)14/h3H,2,4H2,1H3,(H2,9,13,14)
InChIKeyRWBBSXMSJSKWEL-UHFFFAOYSA-N
XLogP-0.37
TPSA104.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(fluoromethyl)-5-sulfamoylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(fluoromethyl)-5-sulfamoylpyrazole-4-carboxylate (CID 14616554) is ethyl 1-(fluoromethyl)-5-sulfamoylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(fluoromethyl)-5-sulfamoylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(fluoromethyl)-5-sulfamoylpyrazole-4-carboxylate is CCOC(=O)c1cnn(CF)c1S(N)(=O)=O.
What is the InChIKey of ethyl 1-(fluoromethyl)-5-sulfamoylpyrazole-4-carboxylate?
The InChIKey is RWBBSXMSJSKWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O4S/c1-2-15-7(12)5-3-10-11(4-8)6(5)16(9,13)14/h3H,2,4H2,1H3,(H2,9,13,14).
What are the key properties of ethyl 1-(fluoromethyl)-5-sulfamoylpyrazole-4-carboxylate?
ethyl 1-(fluoromethyl)-5-sulfamoylpyrazole-4-carboxylate has a molecular weight of 251.24 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(fluoromethyl)-5-sulfamoylpyrazole-4-carboxylate is sourced from PubChem (CID 14616554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).