5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

C17H18N6O4 — CID 4309351

IUPAC5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1c(/N=N/c2c(O)n(C)c(=O)n(C)c2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C17H18N6O4/c1-10-12(16(26)23(22(10)4)11-8-6-5-7-9-11)18-19-13-14(24)20(2)17(27)21(3)15(13)25/h5-9,24H,1-4H3/b19-18+
InChIKeyJMGAYOBURSVNAY-VHEBQXMUSA-N
MW370.37 g/mol
LogP1.00
Rot. Bonds3

About 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione

5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 4309351) has the molecular formula C17H18N6O4 and a molecular weight of 370.37 g/mol. Its IUPAC name is 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID4309351
Molecular FormulaC17H18N6O4
Molecular Weight370.37 g/mol
Exact Mass370.14
IUPAC Name5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCc1c(/N=N/c2c(O)n(C)c(=O)n(C)c2=O)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C17H18N6O4/c1-10-12(16(26)23(22(10)4)11-8-6-5-7-9-11)18-19-13-14(24)20(2)17(27)21(3)15(13)25/h5-9,24H,1-4H3/b19-18+
InChIKeyJMGAYOBURSVNAY-VHEBQXMUSA-N
XLogP1.00
TPSA115.88 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 4309351) is 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is Cc1c(/N=N/c2c(O)n(C)c(=O)n(C)c2=O)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is JMGAYOBURSVNAY-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H18N6O4/c1-10-12(16(26)23(22(10)4)11-8-6-5-7-9-11)18-19-13-14(24)20(2)17(27)21(3)15(13)25/h5-9,24H,1-4H3/b19-18+.
What are the key properties of 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 370.37 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 4309351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).