7-amino-5-(4-chlorophenyl)-3-phenyldiazenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

C24H15ClN8 — CID 136697158

IUPAC7-amino-5-(4-chlorophenyl)-3-phenyldiazenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)nc2c(/N=N/c3ccccc3)c(-c3ccncc3)nn2c1N
InChIInChI=1S/C24H15ClN8/c25-17-8-6-15(7-9-17)20-19(14-26)23(27)33-24(29-20)22(31-30-18-4-2-1-3-5-18)21(32-33)16-10-12-28-13-11-16/h1-13H,27H2/b31-30+
InChIKeyZCINAMBAESUNBU-NVQSTNCTSA-N
MW450.89 g/mol
LogP5.98
Rot. Bonds4

About 7-amino-5-(4-chlorophenyl)-3-phenyldiazenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile

7-amino-5-(4-chlorophenyl)-3-phenyldiazenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 136697158) has the molecular formula C24H15ClN8 and a molecular weight of 450.89 g/mol. Its IUPAC name is 7-amino-5-(4-chlorophenyl)-3-phenyldiazenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name7-amino-5-(4-chlorophenyl)-3-phenyldiazenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID136697158
Molecular FormulaC24H15ClN8
Molecular Weight450.89 g/mol
Exact Mass450.11
IUPAC Name7-amino-5-(4-chlorophenyl)-3-phenyldiazenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESN#Cc1c(-c2ccc(Cl)cc2)nc2c(/N=N/c3ccccc3)c(-c3ccncc3)nn2c1N
InChIInChI=1S/C24H15ClN8/c25-17-8-6-15(7-9-17)20-19(14-26)23(27)33-24(29-20)22(31-30-18-4-2-1-3-5-18)21(32-33)16-10-12-28-13-11-16/h1-13H,27H2/b31-30+
InChIKeyZCINAMBAESUNBU-NVQSTNCTSA-N
XLogP5.98
TPSA117.61 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.89
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[(4-chlorophenyl)diazenyl]-4-methyl-6-phenylpyridine-3-carbonitrile
CID 10861499
4-amino-2-(4-methylphenyl)pyrimido[1,2-b]indazole-3-carbonitrile
CID 132540085
7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
CID 14950768
1,5-diamino-3-phenylpyrazole-4-carbonitrile
CID 174641016
(4R)-6-amino-1-benzyl-4-(4-chlorophenyl)-3-pyridin-4-yl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile
CID 139074491
4,6-diphenyl-5-phenyldiazenylpyrimidin-2-amine
CID 10689276
4-[[5-amino-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]diazenyl]benzenesulfonic acid
CID 137086530
2,5-diamino-7-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 136698398
7-amino-2-(cyanomethyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
CID 134126134
6-(4-bromophenyl)-3-(4-chlorophenyl)-4-(4-cyanophenyl)-1-phenylpyrazolo[5,4-b]pyridine-5-carbonitrile
CID 102393645
[5-[(4-chlorophenyl)diazenyl]-3-cyano-4-methyl-6-phenyl-2-pyridinyl] 4-chlorobenzoate
CID 138858399
5-(4-chlorophenyl)-4-phenyldiazenyl-1H-pyrazol-3-amine
CID 4069133

Frequently Asked Questions

What is the IUPAC name of 7-amino-5-(4-chlorophenyl)-3-phenyldiazenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 7-amino-5-(4-chlorophenyl)-3-phenyldiazenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 136697158) is 7-amino-5-(4-chlorophenyl)-3-phenyldiazenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 7-amino-5-(4-chlorophenyl)-3-phenyldiazenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 7-amino-5-(4-chlorophenyl)-3-phenyldiazenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is N#Cc1c(-c2ccc(Cl)cc2)nc2c(/N=N/c3ccccc3)c(-c3ccncc3)nn2c1N.
What is the InChIKey of 7-amino-5-(4-chlorophenyl)-3-phenyldiazenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is ZCINAMBAESUNBU-NVQSTNCTSA-N. The full InChI is InChI=1S/C24H15ClN8/c25-17-8-6-15(7-9-17)20-19(14-26)23(27)33-24(29-20)22(31-30-18-4-2-1-3-5-18)21(32-33)16-10-12-28-13-11-16/h1-13H,27H2/b31-30+.
What are the key properties of 7-amino-5-(4-chlorophenyl)-3-phenyldiazenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile?
7-amino-5-(4-chlorophenyl)-3-phenyldiazenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 450.89 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-5-(4-chlorophenyl)-3-phenyldiazenyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 136697158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).