5-methyl-3-[(4-methylphenyl)diazenyl]-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione

C14H13N5O2 — CID 135431526

IUPAC5-methyl-3-[(4-methylphenyl)diazenyl]-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
SMILESCc1ccc(/N=N/c2c(=O)[nH]n3c(=O)cc(C)[nH]c23)cc1
InChIInChI=1S/C14H13N5O2/c1-8-3-5-10(6-4-8)16-17-12-13-15-9(2)7-11(20)19(13)18-14(12)21/h3-7,15H,1-2H3,(H,18,21)/b17-16+
InChIKeyOXPIXGHCQPZWMJ-WUKNDPDISA-N
MW283.29 g/mol
LogP2.35
Rot. Bonds2

About 5-methyl-3-[(4-methylphenyl)diazenyl]-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione

5-methyl-3-[(4-methylphenyl)diazenyl]-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione (PubChem CID 135431526) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-methyl-3-[(4-methylphenyl)diazenyl]-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione.

Molecular Properties

Compound Name5-methyl-3-[(4-methylphenyl)diazenyl]-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
PubChem CID135431526
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name5-methyl-3-[(4-methylphenyl)diazenyl]-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
SMILESCc1ccc(/N=N/c2c(=O)[nH]n3c(=O)cc(C)[nH]c23)cc1
InChIInChI=1S/C14H13N5O2/c1-8-3-5-10(6-4-8)16-17-12-13-15-9(2)7-11(20)19(13)18-14(12)21/h3-7,15H,1-2H3,(H,18,21)/b17-16+
InChIKeyOXPIXGHCQPZWMJ-WUKNDPDISA-N
XLogP2.35
TPSA94.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.35
H-Bond Donors ≤ 52
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-methyl-3-[(4-methylphenyl)diazenyl]-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
The IUPAC name of 5-methyl-3-[(4-methylphenyl)diazenyl]-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione (CID 135431526) is 5-methyl-3-[(4-methylphenyl)diazenyl]-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione.
What is the SMILES notation for 5-methyl-3-[(4-methylphenyl)diazenyl]-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
The canonical SMILES for 5-methyl-3-[(4-methylphenyl)diazenyl]-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione is Cc1ccc(/N=N/c2c(=O)[nH]n3c(=O)cc(C)[nH]c23)cc1.
What is the InChIKey of 5-methyl-3-[(4-methylphenyl)diazenyl]-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
The InChIKey is OXPIXGHCQPZWMJ-WUKNDPDISA-N. The full InChI is InChI=1S/C14H13N5O2/c1-8-3-5-10(6-4-8)16-17-12-13-15-9(2)7-11(20)19(13)18-14(12)21/h3-7,15H,1-2H3,(H,18,21)/b17-16+.
What are the key properties of 5-methyl-3-[(4-methylphenyl)diazenyl]-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
5-methyl-3-[(4-methylphenyl)diazenyl]-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione has a molecular weight of 283.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[(4-methylphenyl)diazenyl]-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione is sourced from PubChem (CID 135431526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).