methyl 3-(6-fluoro-2-pyridinyl)-5-sulfamoyl-1H-pyrazole-4-carboxylate

C10H9FN4O4S — CID 70473258

IUPACmethyl 3-(6-fluoro-2-pyridinyl)-5-sulfamoyl-1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1c(-c2cccc(F)n2)n[nH]c1S(N)(=O)=O
InChIInChI=1S/C10H9FN4O4S/c1-19-10(16)7-8(5-3-2-4-6(11)13-5)14-15-9(7)20(12,17)18/h2-4H,1H3,(H,14,15)(H2,12,17,18)
InChIKeyGZCLPJPWWLAXKL-UHFFFAOYSA-N
MW300.27 g/mol
LogP0.04
Rot. Bonds3

About methyl 3-(6-fluoro-2-pyridinyl)-5-sulfamoyl-1H-pyrazole-4-carboxylate

methyl 3-(6-fluoro-2-pyridinyl)-5-sulfamoyl-1H-pyrazole-4-carboxylate (PubChem CID 70473258) has the molecular formula C10H9FN4O4S and a molecular weight of 300.27 g/mol. Its IUPAC name is methyl 3-(6-fluoro-2-pyridinyl)-5-sulfamoyl-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(6-fluoro-2-pyridinyl)-5-sulfamoyl-1H-pyrazole-4-carboxylate
PubChem CID70473258
Molecular FormulaC10H9FN4O4S
Molecular Weight300.27 g/mol
Exact Mass300.03
IUPAC Namemethyl 3-(6-fluoro-2-pyridinyl)-5-sulfamoyl-1H-pyrazole-4-carboxylate
SMILESCOC(=O)c1c(-c2cccc(F)n2)n[nH]c1S(N)(=O)=O
InChIInChI=1S/C10H9FN4O4S/c1-19-10(16)7-8(5-3-2-4-6(11)13-5)14-15-9(7)20(12,17)18/h2-4H,1H3,(H,14,15)(H2,12,17,18)
InChIKeyGZCLPJPWWLAXKL-UHFFFAOYSA-N
XLogP0.04
TPSA128.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-fluoro-2-pyridinyl)-5-sulfamoyl-1H-pyrazole-4-carboxylate?
The IUPAC name of methyl 3-(6-fluoro-2-pyridinyl)-5-sulfamoyl-1H-pyrazole-4-carboxylate (CID 70473258) is methyl 3-(6-fluoro-2-pyridinyl)-5-sulfamoyl-1H-pyrazole-4-carboxylate.
What is the SMILES notation for methyl 3-(6-fluoro-2-pyridinyl)-5-sulfamoyl-1H-pyrazole-4-carboxylate?
The canonical SMILES for methyl 3-(6-fluoro-2-pyridinyl)-5-sulfamoyl-1H-pyrazole-4-carboxylate is COC(=O)c1c(-c2cccc(F)n2)n[nH]c1S(N)(=O)=O.
What is the InChIKey of methyl 3-(6-fluoro-2-pyridinyl)-5-sulfamoyl-1H-pyrazole-4-carboxylate?
The InChIKey is GZCLPJPWWLAXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN4O4S/c1-19-10(16)7-8(5-3-2-4-6(11)13-5)14-15-9(7)20(12,17)18/h2-4H,1H3,(H,14,15)(H2,12,17,18).
What are the key properties of methyl 3-(6-fluoro-2-pyridinyl)-5-sulfamoyl-1H-pyrazole-4-carboxylate?
methyl 3-(6-fluoro-2-pyridinyl)-5-sulfamoyl-1H-pyrazole-4-carboxylate has a molecular weight of 300.27 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-fluoro-2-pyridinyl)-5-sulfamoyl-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 70473258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).