5-methyl-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboximidamide

C15H16N8O4S — CID 135502097

IUPAC5-methyl-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboximidamide
SMILES[H]/N=C(\N)n1[nH]c(C)c(/N=N/c2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c1=O
InChIInChI=1S/C15H16N8O4S/c1-8-7-12(21-27-8)22-28(25,26)11-5-3-10(4-6-11)18-19-13-9(2)20-23(14(13)24)15(16)17/h3-7,20H,1-2H3,(H3,16,17)(H,21,22)/b19-18+
InChIKeyZNAOJFRTEFTDEP-VHEBQXMUSA-N
MW404.41 g/mol
LogP1.74
Rot. Bonds5

About 5-methyl-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboximidamide

5-methyl-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboximidamide (PubChem CID 135502097) has the molecular formula C15H16N8O4S and a molecular weight of 404.41 g/mol. Its IUPAC name is 5-methyl-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboximidamide.

Molecular Properties

Compound Name5-methyl-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboximidamide
PubChem CID135502097
Molecular FormulaC15H16N8O4S
Molecular Weight404.41 g/mol
Exact Mass404.10
IUPAC Name5-methyl-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboximidamide
SMILES[H]/N=C(\N)n1[nH]c(C)c(/N=N/c2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c1=O
InChIInChI=1S/C15H16N8O4S/c1-8-7-12(21-27-8)22-28(25,26)11-5-3-10(4-6-11)18-19-13-9(2)20-23(14(13)24)15(16)17/h3-7,20H,1-2H3,(H3,16,17)(H,21,22)/b19-18+
InChIKeyZNAOJFRTEFTDEP-VHEBQXMUSA-N
XLogP1.74
TPSA184.58 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[1-(4-chlorophenyl)ethenyl]-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 137117464
5-methyl-4-[[4-(1,2-oxazol-3-ylsulfamoyl)phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboxamide
CID 135415653
CID 57350054
CID 57350054
4-[[2-(4-chlorobenzoyl)-5-methyl-3-oxo-1H-pyrazol-4-yl]diazenyl]-N-pyridin-2-ylbenzenesulfonamide
CID 137042855
4-(methanesulfonamido)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 2446459
4-bromo-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 670321
4-(ethylaminomethyl)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 60822085
[amino-[5-methyl-3-oxo-4-[[4-[(1-phenylpyrrol-3-yl)sulfamoyl]phenyl]diazenyl]-1H-pyrazol-2-yl]methylidene]azanium;nitric acid
CID 135402672
1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832
4-(chloroamino)-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 162345507
N-(5-chloro-6-fluoro-1,3-benzothiazol-2-yl)-5-methyl-3-oxo-4-[[4-(pyrimidin-4-ylsulfamoyl)phenyl]diazenyl]-1H-pyrazole-2-carbothioamide
CID 135958503
N-(5-methyl-1,2-oxazol-3-yl)-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]anilino]methylamino]benzenesulfonamide
CID 149149977

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboximidamide?
The IUPAC name of 5-methyl-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboximidamide (CID 135502097) is 5-methyl-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboximidamide.
What is the SMILES notation for 5-methyl-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboximidamide?
The canonical SMILES for 5-methyl-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboximidamide is [H]/N=C(\N)n1[nH]c(C)c(/N=N/c2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)c1=O.
What is the InChIKey of 5-methyl-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboximidamide?
The InChIKey is ZNAOJFRTEFTDEP-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H16N8O4S/c1-8-7-12(21-27-8)22-28(25,26)11-5-3-10(4-6-11)18-19-13-9(2)20-23(14(13)24)15(16)17/h3-7,20H,1-2H3,(H3,16,17)(H,21,22)/b19-18+.
What are the key properties of 5-methyl-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboximidamide?
5-methyl-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboximidamide has a molecular weight of 404.41 g/mol, XLogP of 1.74, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]diazenyl]-3-oxo-1H-pyrazole-2-carboximidamide is sourced from PubChem (CID 135502097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).