1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrazole-3-carboxamide

C11H13N5O3S — CID 79905298

IUPAC1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESCc1c(-n2ccc(C(N)=O)n2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C11H13N5O3S/c1-6-9(16-3-2-8(15-16)11(13)17)4-7(12)5-10(6)20(14,18)19/h2-5H,12H2,1H3,(H2,13,17)(H2,14,18,19)
InChIKeyXWJPRXFYTDXDDH-UHFFFAOYSA-N
MW295.32 g/mol
LogP-0.49
Rot. Bonds3

About 1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrazole-3-carboxamide

1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrazole-3-carboxamide (PubChem CID 79905298) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is 1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrazole-3-carboxamide
PubChem CID79905298
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC Name1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrazole-3-carboxamide
SMILESCc1c(-n2ccc(C(N)=O)n2)cc(N)cc1S(N)(=O)=O
InChIInChI=1S/C11H13N5O3S/c1-6-9(16-3-2-8(15-16)11(13)17)4-7(12)5-10(6)20(14,18)19/h2-5H,12H2,1H3,(H2,13,17)(H2,14,18,19)
InChIKeyXWJPRXFYTDXDDH-UHFFFAOYSA-N
XLogP-0.49
TPSA147.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrazole-3-carboxamide (CID 79905298) is 1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrazole-3-carboxamide is Cc1c(-n2ccc(C(N)=O)n2)cc(N)cc1S(N)(=O)=O.
What is the InChIKey of 1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrazole-3-carboxamide?
The InChIKey is XWJPRXFYTDXDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c1-6-9(16-3-2-8(15-16)11(13)17)4-7(12)5-10(6)20(14,18)19/h2-5H,12H2,1H3,(H2,13,17)(H2,14,18,19).
What are the key properties of 1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrazole-3-carboxamide?
1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrazole-3-carboxamide has a molecular weight of 295.32 g/mol, XLogP of -0.49, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-methyl-3-sulfamoylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 79905298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).