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

C15H16N6 — CID 4177430

IUPAC5,7-dimethyl-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCc1ccc(/N=N/c2c(N)nn3c(C)cc(C)nc23)cc1
InChIInChI=1S/C15H16N6/c1-9-4-6-12(7-5-9)18-19-13-14(16)20-21-11(3)8-10(2)17-15(13)21/h4-8H,1-3H3,(H2,16,20)/b19-18+
InChIKeyVANUWSFHZLUKQD-VHEBQXMUSA-N
MW280.34 g/mol
LogP3.65
Rot. Bonds2

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

5,7-dimethyl-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine (PubChem CID 4177430) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 5,7-dimethyl-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5,7-dimethyl-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine
PubChem CID4177430
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name5,7-dimethyl-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine
SMILESCc1ccc(/N=N/c2c(N)nn3c(C)cc(C)nc23)cc1
InChIInChI=1S/C15H16N6/c1-9-4-6-12(7-5-9)18-19-13-14(16)20-21-11(3)8-10(2)17-15(13)21/h4-8H,1-3H3,(H2,16,20)/b19-18+
InChIKeyVANUWSFHZLUKQD-VHEBQXMUSA-N
XLogP3.65
TPSA80.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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]pyrazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5,7-dimethyl-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine (CID 4177430) is 5,7-dimethyl-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5,7-dimethyl-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5,7-dimethyl-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine is Cc1ccc(/N=N/c2c(N)nn3c(C)cc(C)nc23)cc1.
What is the InChIKey of 5,7-dimethyl-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is VANUWSFHZLUKQD-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H16N6/c1-9-4-6-12(7-5-9)18-19-13-14(16)20-21-11(3)8-10(2)17-15(13)21/h4-8H,1-3H3,(H2,16,20)/b19-18+.
What are the key properties of 5,7-dimethyl-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine?
5,7-dimethyl-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 280.34 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-3-[(4-methylphenyl)diazenyl]pyrazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 4177430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).