5-methyl-4-[[4-(1,2-oxazol-3-ylsulfamoyl)phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboxamide

C14H13N7O5S — CID 135415653

IUPAC5-methyl-4-[[4-(1,2-oxazol-3-ylsulfamoyl)phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboxamide
SMILESCc1[nH]n(C(N)=O)c(=O)c1/N=N/c1ccc(S(=O)(=O)Nc2ccon2)cc1
InChIInChI=1S/C14H13N7O5S/c1-8-12(13(22)21(18-8)14(15)23)17-16-9-2-4-10(5-3-9)27(24,25)20-11-6-7-26-19-11/h2-7,18H,1H3,(H2,15,23)(H,19,20)/b17-16+
InChIKeyJQOPPHKITXEXEQ-WUKNDPDISA-N
MW391.37 g/mol
LogP1.62
Rot. Bonds5

About 5-methyl-4-[[4-(1,2-oxazol-3-ylsulfamoyl)phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboxamide

5-methyl-4-[[4-(1,2-oxazol-3-ylsulfamoyl)phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboxamide (PubChem CID 135415653) has the molecular formula C14H13N7O5S and a molecular weight of 391.37 g/mol. Its IUPAC name is 5-methyl-4-[[4-(1,2-oxazol-3-ylsulfamoyl)phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboxamide.

Molecular Properties

Compound Name5-methyl-4-[[4-(1,2-oxazol-3-ylsulfamoyl)phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboxamide
PubChem CID135415653
Molecular FormulaC14H13N7O5S
Molecular Weight391.37 g/mol
Exact Mass391.07
IUPAC Name5-methyl-4-[[4-(1,2-oxazol-3-ylsulfamoyl)phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboxamide
SMILESCc1[nH]n(C(N)=O)c(=O)c1/N=N/c1ccc(S(=O)(=O)Nc2ccon2)cc1
InChIInChI=1S/C14H13N7O5S/c1-8-12(13(22)21(18-8)14(15)23)17-16-9-2-4-10(5-3-9)27(24,25)20-11-6-7-26-19-11/h2-7,18H,1H3,(H2,15,23)(H,19,20)/b17-16+
InChIKeyJQOPPHKITXEXEQ-WUKNDPDISA-N
XLogP1.62
TPSA177.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.37
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[4-(1,2-oxazol-3-ylsulfamoyl)phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboxamide?
The IUPAC name of 5-methyl-4-[[4-(1,2-oxazol-3-ylsulfamoyl)phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboxamide (CID 135415653) is 5-methyl-4-[[4-(1,2-oxazol-3-ylsulfamoyl)phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboxamide.
What is the SMILES notation for 5-methyl-4-[[4-(1,2-oxazol-3-ylsulfamoyl)phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboxamide?
The canonical SMILES for 5-methyl-4-[[4-(1,2-oxazol-3-ylsulfamoyl)phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboxamide is Cc1[nH]n(C(N)=O)c(=O)c1/N=N/c1ccc(S(=O)(=O)Nc2ccon2)cc1.
What is the InChIKey of 5-methyl-4-[[4-(1,2-oxazol-3-ylsulfamoyl)phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboxamide?
The InChIKey is JQOPPHKITXEXEQ-WUKNDPDISA-N. The full InChI is InChI=1S/C14H13N7O5S/c1-8-12(13(22)21(18-8)14(15)23)17-16-9-2-4-10(5-3-9)27(24,25)20-11-6-7-26-19-11/h2-7,18H,1H3,(H2,15,23)(H,19,20)/b17-16+.
What are the key properties of 5-methyl-4-[[4-(1,2-oxazol-3-ylsulfamoyl)phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboxamide?
5-methyl-4-[[4-(1,2-oxazol-3-ylsulfamoyl)phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboxamide has a molecular weight of 391.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[4-(1,2-oxazol-3-ylsulfamoyl)phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboxamide is sourced from PubChem (CID 135415653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).