2-(5-ethyl-4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one

C19H22N6O2 — CID 136864869

IUPAC2-(5-ethyl-4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one
SMILESCCc1c(C)nc(-n2[nH]c(C)c(/N=N/c3ccc(C)cc3)c2=O)nc1OC
InChIInChI=1S/C19H22N6O2/c1-6-15-12(3)20-19(21-17(15)27-5)25-18(26)16(13(4)24-25)23-22-14-9-7-11(2)8-10-14/h7-10,24H,6H2,1-5H3/b23-22+
InChIKeyQCROIBLJWIIORY-GHVJWSGMSA-N
MW366.43 g/mol
LogP3.87
Rot. Bonds5

About 2-(5-ethyl-4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one

2-(5-ethyl-4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one (PubChem CID 136864869) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-(5-ethyl-4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(5-ethyl-4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one
PubChem CID136864869
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name2-(5-ethyl-4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one
SMILESCCc1c(C)nc(-n2[nH]c(C)c(/N=N/c3ccc(C)cc3)c2=O)nc1OC
InChIInChI=1S/C19H22N6O2/c1-6-15-12(3)20-19(21-17(15)27-5)25-18(26)16(13(4)24-25)23-22-14-9-7-11(2)8-10-14/h7-10,24H,6H2,1-5H3/b23-22+
InChIKeyQCROIBLJWIIORY-GHVJWSGMSA-N
XLogP3.87
TPSA97.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2-(5-ethyl-4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one?
The IUPAC name of 2-(5-ethyl-4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one (CID 136864869) is 2-(5-ethyl-4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one.
What is the SMILES notation for 2-(5-ethyl-4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one?
The canonical SMILES for 2-(5-ethyl-4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one is CCc1c(C)nc(-n2[nH]c(C)c(/N=N/c3ccc(C)cc3)c2=O)nc1OC.
What is the InChIKey of 2-(5-ethyl-4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one?
The InChIKey is QCROIBLJWIIORY-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-6-15-12(3)20-19(21-17(15)27-5)25-18(26)16(13(4)24-25)23-22-14-9-7-11(2)8-10-14/h7-10,24H,6H2,1-5H3/b23-22+.
What are the key properties of 2-(5-ethyl-4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one?
2-(5-ethyl-4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one has a molecular weight of 366.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-4-methoxy-6-methylpyrimidin-2-yl)-5-methyl-4-[(4-methylphenyl)diazenyl]-1H-pyrazol-3-one is sourced from PubChem (CID 136864869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).