5,7-dimethyl-3-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one

C15H15N5O — CID 7313811

IUPAC5,7-dimethyl-3-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESCc1ccc(/N=N/c2c(=O)[nH]n3c(C)cc(C)nc23)cc1
InChIInChI=1S/C15H15N5O/c1-9-4-6-12(7-5-9)17-18-13-14-16-10(2)8-11(3)20(14)19-15(13)21/h4-8H,1-3H3,(H,19,21)/b18-17+
InChIKeyFVVDYXLLNHGDOY-ISLYRVAYSA-N
MW281.32 g/mol
LogP3.36
Rot. Bonds2

About 5,7-dimethyl-3-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one

5,7-dimethyl-3-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one (PubChem CID 7313811) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 5,7-dimethyl-3-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one.

Molecular Properties

Compound Name5,7-dimethyl-3-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one
PubChem CID7313811
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name5,7-dimethyl-3-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESCc1ccc(/N=N/c2c(=O)[nH]n3c(C)cc(C)nc23)cc1
InChIInChI=1S/C15H15N5O/c1-9-4-6-12(7-5-9)17-18-13-14-16-10(2)8-11(3)20(14)19-15(13)21/h4-8H,1-3H3,(H,19,21)/b18-17+
InChIKeyFVVDYXLLNHGDOY-ISLYRVAYSA-N
XLogP3.36
TPSA74.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 5,7-dimethyl-3-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The IUPAC name of 5,7-dimethyl-3-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one (CID 7313811) is 5,7-dimethyl-3-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one.
What is the SMILES notation for 5,7-dimethyl-3-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The canonical SMILES for 5,7-dimethyl-3-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one is Cc1ccc(/N=N/c2c(=O)[nH]n3c(C)cc(C)nc23)cc1.
What is the InChIKey of 5,7-dimethyl-3-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The InChIKey is FVVDYXLLNHGDOY-ISLYRVAYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-9-4-6-12(7-5-9)17-18-13-14-16-10(2)8-11(3)20(14)19-15(13)21/h4-8H,1-3H3,(H,19,21)/b18-17+.
What are the key properties of 5,7-dimethyl-3-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one?
5,7-dimethyl-3-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one has a molecular weight of 281.32 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one is sourced from PubChem (CID 7313811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).