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

C15H12F3N5O — CID 7313804

IUPAC5,7-dimethyl-3-[[3-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESCc1cc(C)n2[nH]c(=O)c(/N=N/c3cccc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C15H12F3N5O/c1-8-6-9(2)23-13(19-8)12(14(24)22-23)21-20-11-5-3-4-10(7-11)15(16,17)18/h3-7H,1-2H3,(H,22,24)/b21-20+
InChIKeyFQVAFGRKZUFQLS-QZQOTICOSA-N
MW335.29 g/mol
LogP4.07
Rot. Bonds2

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

5,7-dimethyl-3-[[3-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one (PubChem CID 7313804) has the molecular formula C15H12F3N5O and a molecular weight of 335.29 g/mol. Its IUPAC name is 5,7-dimethyl-3-[[3-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one.

Molecular Properties

Compound Name5,7-dimethyl-3-[[3-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one
PubChem CID7313804
Molecular FormulaC15H12F3N5O
Molecular Weight335.29 g/mol
Exact Mass335.10
IUPAC Name5,7-dimethyl-3-[[3-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one
SMILESCc1cc(C)n2[nH]c(=O)c(/N=N/c3cccc(C(F)(F)F)c3)c2n1
InChIInChI=1S/C15H12F3N5O/c1-8-6-9(2)23-13(19-8)12(14(24)22-23)21-20-11-5-3-4-10(7-11)15(16,17)18/h3-7H,1-2H3,(H,22,24)/b21-20+
InChIKeyFQVAFGRKZUFQLS-QZQOTICOSA-N
XLogP4.07
TPSA74.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 54.07
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-[[3-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The IUPAC name of 5,7-dimethyl-3-[[3-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one (CID 7313804) is 5,7-dimethyl-3-[[3-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one.
What is the SMILES notation for 5,7-dimethyl-3-[[3-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The canonical SMILES for 5,7-dimethyl-3-[[3-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one is Cc1cc(C)n2[nH]c(=O)c(/N=N/c3cccc(C(F)(F)F)c3)c2n1.
What is the InChIKey of 5,7-dimethyl-3-[[3-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one?
The InChIKey is FQVAFGRKZUFQLS-QZQOTICOSA-N. The full InChI is InChI=1S/C15H12F3N5O/c1-8-6-9(2)23-13(19-8)12(14(24)22-23)21-20-11-5-3-4-10(7-11)15(16,17)18/h3-7H,1-2H3,(H,22,24)/b21-20+.
What are the key properties of 5,7-dimethyl-3-[[3-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one?
5,7-dimethyl-3-[[3-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one has a molecular weight of 335.29 g/mol, XLogP of 4.07, 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-[[3-(trifluoromethyl)phenyl]diazenyl]-1H-pyrazolo[1,5-a]pyrimidin-2-one is sourced from PubChem (CID 7313804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).