ethyl 5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylate

C12H12FN3O4S — CID 27651896

IUPACethyl 5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H12FN3O4S/c1-2-20-12(17)10-7-14-15-11(10)21(18,19)16-9-5-3-8(13)4-6-9/h3-7,16H,2H2,1H3,(H,14,15)
InChIKeyXGQYUFDZYNBPAD-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.53
Rot. Bonds5

About ethyl 5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylate

ethyl 5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 27651896) has the molecular formula C12H12FN3O4S and a molecular weight of 313.31 g/mol. Its IUPAC name is ethyl 5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID27651896
Molecular FormulaC12H12FN3O4S
Molecular Weight313.31 g/mol
Exact Mass313.05
IUPAC Nameethyl 5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H12FN3O4S/c1-2-20-12(17)10-7-14-15-11(10)21(18,19)16-9-5-3-8(13)4-6-9/h3-7,16H,2H2,1H3,(H,14,15)
InChIKeyXGQYUFDZYNBPAD-UHFFFAOYSA-N
XLogP1.53
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylate (CID 27651896) is ethyl 5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of ethyl 5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is XGQYUFDZYNBPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O4S/c1-2-20-12(17)10-7-14-15-11(10)21(18,19)16-9-5-3-8(13)4-6-9/h3-7,16H,2H2,1H3,(H,14,15).
What are the key properties of ethyl 5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
ethyl 5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 313.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 27651896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).