ethyl 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate

C11H11FN4O4S — CID 103775663

IUPACethyl 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1ccc(F)nc1
InChIInChI=1S/C11H11FN4O4S/c1-2-20-11(17)8-6-14-15-10(8)21(18,19)16-7-3-4-9(12)13-5-7/h3-6,16H,2H2,1H3,(H,14,15)
InChIKeyQZRXWHACAIWULN-UHFFFAOYSA-N
MW314.30 g/mol
LogP0.92
Rot. Bonds5

About ethyl 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate

ethyl 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate (PubChem CID 103775663) has the molecular formula C11H11FN4O4S and a molecular weight of 314.30 g/mol. Its IUPAC name is ethyl 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate
PubChem CID103775663
Molecular FormulaC11H11FN4O4S
Molecular Weight314.30 g/mol
Exact Mass314.05
IUPAC Nameethyl 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1ccc(F)nc1
InChIInChI=1S/C11H11FN4O4S/c1-2-20-11(17)8-6-14-15-10(8)21(18,19)16-7-3-4-9(12)13-5-7/h3-6,16H,2H2,1H3,(H,14,15)
InChIKeyQZRXWHACAIWULN-UHFFFAOYSA-N
XLogP0.92
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze ethyl 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-[[3-(methylcarbamoyl)phenyl]sulfamoyl]-1H-pyrazole-4-carboxylate
CID 46514340
ethyl 5-[(2-iodophenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 60712737
ethyl 5-[(2-methyl-1,2,4-triazol-3-yl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 80708490
ethyl 5-(1,3-thiazol-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713527
ethyl 5-[(2-propan-2-ylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 46510750
ethyl 5-[(2-chloro-4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 27372846
ethyl 5-(cyclopropylmethylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60727337
ethyl 5-(butan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60712845
ethyl 5-(2-methylbutan-2-ylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713518
ethyl 5-(prop-2-ynylsulfamoyl)-1H-pyrazole-4-carboxylate
CID 60713581
ethyl 5-[(2-amino-2-oxoethoxy)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 112672393
ethyl 5-[(4-methylphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylate
CID 171146060

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate (CID 103775663) is ethyl 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1S(=O)(=O)Nc1ccc(F)nc1.
What is the InChIKey of ethyl 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
The InChIKey is QZRXWHACAIWULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O4S/c1-2-20-11(17)8-6-14-15-10(8)21(18,19)16-7-3-4-9(12)13-5-7/h3-6,16H,2H2,1H3,(H,14,15).
What are the key properties of ethyl 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate?
ethyl 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate has a molecular weight of 314.30 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(6-fluoro-3-pyridinyl)sulfamoyl]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 103775663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).