methyl 4-amino-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylate

C10H11N5O4S — CID 107346339

IUPACmethyl 4-amino-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(S(N)(=O)=O)cn2)cc1N
InChIInChI=1S/C10H11N5O4S/c1-19-10(16)9-7(11)5-15(14-9)8-3-2-6(4-13-8)20(12,17)18/h2-5H,11H2,1H3,(H2,12,17,18)
InChIKeyUBNBYBYYCJLDFD-UHFFFAOYSA-N
MW297.30 g/mol
LogP-0.72
Rot. Bonds3

About methyl 4-amino-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylate

methyl 4-amino-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylate (PubChem CID 107346339) has the molecular formula C10H11N5O4S and a molecular weight of 297.30 g/mol. Its IUPAC name is methyl 4-amino-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylate
PubChem CID107346339
Molecular FormulaC10H11N5O4S
Molecular Weight297.30 g/mol
Exact Mass297.05
IUPAC Namemethyl 4-amino-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(S(N)(=O)=O)cn2)cc1N
InChIInChI=1S/C10H11N5O4S/c1-19-10(16)9-7(11)5-15(14-9)8-3-2-6(4-13-8)20(12,17)18/h2-5H,11H2,1H3,(H2,12,17,18)
InChIKeyUBNBYBYYCJLDFD-UHFFFAOYSA-N
XLogP-0.72
TPSA143.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 107346221
methyl 4-amino-1-[4-(methylsulfamoyl)phenyl]pyrazole-3-carboxylate
CID 107346272
methyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate
CID 107346290
methyl 4-amino-1-(6-methylpyrimidin-4-yl)pyrazole-3-carboxylate
CID 107346189
methyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate
CID 107346201
6-(4-aminopyrazol-1-yl)pyridine-3-sulfonamide
CID 61175242
methyl 4-(4-amino-3-methoxycarbonylpyrazol-1-yl)-6-methylpyrimidine-2-carboxylate
CID 107346354
methyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate
CID 107346365
methyl 4-amino-1-(2-carbamoylphenyl)pyrazole-3-carboxylate
CID 107346310
methyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 107346344
methyl 4-amino-1-tert-butylpyrazole-3-carboxylate
CID 122445443
methyl 4-amino-1-cinnolin-4-ylpyrazole-3-carboxylate
CID 107346195

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 4-amino-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylate (CID 107346339) is methyl 4-amino-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-amino-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 4-amino-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylate is COC(=O)c1nn(-c2ccc(S(N)(=O)=O)cn2)cc1N.
What is the InChIKey of methyl 4-amino-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylate?
The InChIKey is UBNBYBYYCJLDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4S/c1-19-10(16)9-7(11)5-15(14-9)8-3-2-6(4-13-8)20(12,17)18/h2-5H,11H2,1H3,(H2,12,17,18).
What are the key properties of methyl 4-amino-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylate?
methyl 4-amino-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylate has a molecular weight of 297.30 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylate is sourced from PubChem (CID 107346339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).