2-amino-3-[(4-methylphenyl)diazenyl]-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C19H16N6O — CID 135431535

IUPAC2-amino-3-[(4-methylphenyl)diazenyl]-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1ccc(/N=N/c2c(N)[nH]n3c(=O)cc(-c4ccccc4)nc23)cc1
InChIInChI=1S/C19H16N6O/c1-12-7-9-14(10-8-12)22-23-17-18(20)24-25-16(26)11-15(21-19(17)25)13-5-3-2-4-6-13/h2-11,24H,20H2,1H3/b23-22+
InChIKeyQWPIQPRIAKLIGZ-GHVJWSGMSA-N
MW344.38 g/mol
LogP4.00
Rot. Bonds3

About 2-amino-3-[(4-methylphenyl)diazenyl]-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-amino-3-[(4-methylphenyl)diazenyl]-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 135431535) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-amino-3-[(4-methylphenyl)diazenyl]-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-3-[(4-methylphenyl)diazenyl]-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID135431535
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC Name2-amino-3-[(4-methylphenyl)diazenyl]-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1ccc(/N=N/c2c(N)[nH]n3c(=O)cc(-c4ccccc4)nc23)cc1
InChIInChI=1S/C19H16N6O/c1-12-7-9-14(10-8-12)22-23-17-18(20)24-25-16(26)11-15(21-19(17)25)13-5-3-2-4-6-13/h2-11,24H,20H2,1H3/b23-22+
InChIKeyQWPIQPRIAKLIGZ-GHVJWSGMSA-N
XLogP4.00
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-3-[(4-methylphenyl)diazenyl]-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(4-methylphenyl)diazenyl]-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-amino-3-[(4-methylphenyl)diazenyl]-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 135431535) is 2-amino-3-[(4-methylphenyl)diazenyl]-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-amino-3-[(4-methylphenyl)diazenyl]-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-amino-3-[(4-methylphenyl)diazenyl]-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1ccc(/N=N/c2c(N)[nH]n3c(=O)cc(-c4ccccc4)nc23)cc1.
What is the InChIKey of 2-amino-3-[(4-methylphenyl)diazenyl]-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is QWPIQPRIAKLIGZ-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H16N6O/c1-12-7-9-14(10-8-12)22-23-17-18(20)24-25-16(26)11-15(21-19(17)25)13-5-3-2-4-6-13/h2-11,24H,20H2,1H3/b23-22+.
What are the key properties of 2-amino-3-[(4-methylphenyl)diazenyl]-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-amino-3-[(4-methylphenyl)diazenyl]-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 344.38 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(4-methylphenyl)diazenyl]-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 135431535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).