ethyl 2,7-diamino-3-phenyldiazenylpyrazolo[1,5-a]pyrimidine-6-carboxylate

C15H15N7O2 — CID 135510979

IUPACethyl 2,7-diamino-3-phenyldiazenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(/N=N/c3ccccc3)c(N)nn2c1N
InChIInChI=1S/C15H15N7O2/c1-2-24-15(23)10-8-18-14-11(12(16)21-22(14)13(10)17)20-19-9-6-4-3-5-7-9/h3-8H,2,17H2,1H3,(H2,16,21)/b20-19+
InChIKeyPDIAEKUQDRSQIV-FMQUCBEESA-N
MW325.33 g/mol
LogP2.49
Rot. Bonds4

About ethyl 2,7-diamino-3-phenyldiazenylpyrazolo[1,5-a]pyrimidine-6-carboxylate

ethyl 2,7-diamino-3-phenyldiazenylpyrazolo[1,5-a]pyrimidine-6-carboxylate (PubChem CID 135510979) has the molecular formula C15H15N7O2 and a molecular weight of 325.33 g/mol. Its IUPAC name is ethyl 2,7-diamino-3-phenyldiazenylpyrazolo[1,5-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2,7-diamino-3-phenyldiazenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
PubChem CID135510979
Molecular FormulaC15H15N7O2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Nameethyl 2,7-diamino-3-phenyldiazenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cnc2c(/N=N/c3ccccc3)c(N)nn2c1N
InChIInChI=1S/C15H15N7O2/c1-2-24-15(23)10-8-18-14-11(12(16)21-22(14)13(10)17)20-19-9-6-4-3-5-7-9/h3-8H,2,17H2,1H3,(H2,16,21)/b20-19+
InChIKeyPDIAEKUQDRSQIV-FMQUCBEESA-N
XLogP2.49
TPSA133.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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 ethyl 2,7-diamino-3-phenyldiazenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 2,7-diamino-3-phenyldiazenylpyrazolo[1,5-a]pyrimidine-6-carboxylate (CID 135510979) is ethyl 2,7-diamino-3-phenyldiazenylpyrazolo[1,5-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 2,7-diamino-3-phenyldiazenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 2,7-diamino-3-phenyldiazenylpyrazolo[1,5-a]pyrimidine-6-carboxylate is CCOC(=O)c1cnc2c(/N=N/c3ccccc3)c(N)nn2c1N.
What is the InChIKey of ethyl 2,7-diamino-3-phenyldiazenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
The InChIKey is PDIAEKUQDRSQIV-FMQUCBEESA-N. The full InChI is InChI=1S/C15H15N7O2/c1-2-24-15(23)10-8-18-14-11(12(16)21-22(14)13(10)17)20-19-9-6-4-3-5-7-9/h3-8H,2,17H2,1H3,(H2,16,21)/b20-19+.
What are the key properties of ethyl 2,7-diamino-3-phenyldiazenylpyrazolo[1,5-a]pyrimidine-6-carboxylate?
ethyl 2,7-diamino-3-phenyldiazenylpyrazolo[1,5-a]pyrimidine-6-carboxylate has a molecular weight of 325.33 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,7-diamino-3-phenyldiazenylpyrazolo[1,5-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 135510979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).