5-methyl-3-phenyldiazenyl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione

C13H11N5O2 — CID 135431525

IUPAC5-methyl-3-phenyldiazenyl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
SMILESCc1cc(=O)n2[nH]c(=O)c(/N=N/c3ccccc3)c2[nH]1
InChIInChI=1S/C13H11N5O2/c1-8-7-10(19)18-12(14-8)11(13(20)17-18)16-15-9-5-3-2-4-6-9/h2-7,14H,1H3,(H,17,20)/b16-15+
InChIKeyDELDPUNTSBPABY-FOCLMDBBSA-N
MW269.26 g/mol
LogP2.04
Rot. Bonds2

About 5-methyl-3-phenyldiazenyl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione

5-methyl-3-phenyldiazenyl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione (PubChem CID 135431525) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 5-methyl-3-phenyldiazenyl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione.

Molecular Properties

Compound Name5-methyl-3-phenyldiazenyl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
PubChem CID135431525
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name5-methyl-3-phenyldiazenyl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
SMILESCc1cc(=O)n2[nH]c(=O)c(/N=N/c3ccccc3)c2[nH]1
InChIInChI=1S/C13H11N5O2/c1-8-7-10(19)18-12(14-8)11(13(20)17-18)16-15-9-5-3-2-4-6-9/h2-7,14H,1H3,(H,17,20)/b16-15+
InChIKeyDELDPUNTSBPABY-FOCLMDBBSA-N
XLogP2.04
TPSA94.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.04
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-phenyldiazenyl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
The IUPAC name of 5-methyl-3-phenyldiazenyl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione (CID 135431525) is 5-methyl-3-phenyldiazenyl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione.
What is the SMILES notation for 5-methyl-3-phenyldiazenyl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
The canonical SMILES for 5-methyl-3-phenyldiazenyl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione is Cc1cc(=O)n2[nH]c(=O)c(/N=N/c3ccccc3)c2[nH]1.
What is the InChIKey of 5-methyl-3-phenyldiazenyl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
The InChIKey is DELDPUNTSBPABY-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-8-7-10(19)18-12(14-8)11(13(20)17-18)16-15-9-5-3-2-4-6-9/h2-7,14H,1H3,(H,17,20)/b16-15+.
What are the key properties of 5-methyl-3-phenyldiazenyl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione?
5-methyl-3-phenyldiazenyl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione has a molecular weight of 269.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyldiazenyl-1,4-dihydropyrazolo[1,5-a]pyrimidine-2,7-dione is sourced from PubChem (CID 135431525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).