2,5-diamino-7-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile

C19H14N8O2 — CID 136698398

IUPAC2,5-diamino-7-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1c(N)nc2c(/N=N/c3ccc(O)cc3)c(N)nn2c1-c1ccc(O)cc1
InChIInChI=1S/C19H14N8O2/c20-9-14-16(10-1-5-12(28)6-2-10)27-19(23-17(14)21)15(18(22)26-27)25-24-11-3-7-13(29)8-4-11/h1-8,28-29H,(H2,21,23)(H2,22,26)/b25-24+
InChIKeyUTJSDVZRLNPHSR-OCOZRVBESA-N
MW386.38 g/mol
LogP3.26
Rot. Bonds3

About 2,5-diamino-7-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile

2,5-diamino-7-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 136698398) has the molecular formula C19H14N8O2 and a molecular weight of 386.38 g/mol. Its IUPAC name is 2,5-diamino-7-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name2,5-diamino-7-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID136698398
Molecular FormulaC19H14N8O2
Molecular Weight386.38 g/mol
Exact Mass386.12
IUPAC Name2,5-diamino-7-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1c(N)nc2c(/N=N/c3ccc(O)cc3)c(N)nn2c1-c1ccc(O)cc1
InChIInChI=1S/C19H14N8O2/c20-9-14-16(10-1-5-12(28)6-2-10)27-19(23-17(14)21)15(18(22)26-27)25-24-11-3-7-13(29)8-4-11/h1-8,28-29H,(H2,21,23)(H2,22,26)/b25-24+
InChIKeyUTJSDVZRLNPHSR-OCOZRVBESA-N
XLogP3.26
TPSA171.20 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.38
LogP ≤ 53.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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 2,5-diamino-7-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 2,5-diamino-7-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 136698398) is 2,5-diamino-7-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 2,5-diamino-7-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 2,5-diamino-7-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile is N#Cc1c(N)nc2c(/N=N/c3ccc(O)cc3)c(N)nn2c1-c1ccc(O)cc1.
What is the InChIKey of 2,5-diamino-7-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is UTJSDVZRLNPHSR-OCOZRVBESA-N. The full InChI is InChI=1S/C19H14N8O2/c20-9-14-16(10-1-5-12(28)6-2-10)27-19(23-17(14)21)15(18(22)26-27)25-24-11-3-7-13(29)8-4-11/h1-8,28-29H,(H2,21,23)(H2,22,26)/b25-24+.
What are the key properties of 2,5-diamino-7-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
2,5-diamino-7-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 386.38 g/mol, XLogP of 3.26, 3 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-7-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 136698398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).