methyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate

C11H12N4O4S — CID 107346221

IUPACmethyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)cc1N
InChIInChI=1S/C11H12N4O4S/c1-19-11(16)10-9(12)6-15(14-10)7-2-4-8(5-3-7)20(13,17)18/h2-6H,12H2,1H3,(H2,13,17,18)
InChIKeyXHIXHHLMKIIXHG-UHFFFAOYSA-N
MW296.31 g/mol
LogP-0.11
Rot. Bonds3

About methyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate

methyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate (PubChem CID 107346221) has the molecular formula C11H12N4O4S and a molecular weight of 296.31 g/mol. Its IUPAC name is methyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
PubChem CID107346221
Molecular FormulaC11H12N4O4S
Molecular Weight296.31 g/mol
Exact Mass296.06
IUPAC Namemethyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)cc1N
InChIInChI=1S/C11H12N4O4S/c1-19-11(16)10-9(12)6-15(14-10)7-2-4-8(5-3-7)20(13,17)18/h2-6H,12H2,1H3,(H2,13,17,18)
InChIKeyXHIXHHLMKIIXHG-UHFFFAOYSA-N
XLogP-0.11
TPSA130.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-amino-1-[4-(methylsulfamoyl)phenyl]pyrazole-3-carboxylate
CID 107346272
methyl 4-amino-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylate
CID 107346339
methyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 107346344
methyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate
CID 107346365
methyl 4-amino-1-(3-chloro-4-cyanophenyl)pyrazole-3-carboxylate
CID 107346194
methyl 4-hydroxy-1-(4-methoxycarbonylphenyl)pyrazole-3-carboxylate
CID 4737915
(3,5-dichloro-4-methoxyphenyl) 4-methyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 91133842
methyl 4-amino-1-(2-carbamoylphenyl)pyrazole-3-carboxylate
CID 107346310
methyl 4-amino-1-tert-butylpyrazole-3-carboxylate
CID 122445443
methyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate
CID 107346201
4-(3-aminopyrazol-1-yl)benzenesulfonamide
CID 61176767
methyl 4-(4-amino-3-carbamoylpyrazol-1-yl)pyridine-2-carboxylate
CID 107346534

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate?
The IUPAC name of methyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate (CID 107346221) is methyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate?
The canonical SMILES for methyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate is COC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)cc1N.
What is the InChIKey of methyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate?
The InChIKey is XHIXHHLMKIIXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O4S/c1-19-11(16)10-9(12)6-15(14-10)7-2-4-8(5-3-7)20(13,17)18/h2-6H,12H2,1H3,(H2,13,17,18).
What are the key properties of methyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate?
methyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate has a molecular weight of 296.31 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 107346221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).