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

C14H14N6O — CID 135482837

IUPAC2-amino-7-methyl-3-[(4-methylphenyl)diazenyl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1ccc(/N=N/c2c(N)nn3c(C)cc(=O)[nH]c23)cc1
InChIInChI=1S/C14H14N6O/c1-8-3-5-10(6-4-8)17-18-12-13(15)19-20-9(2)7-11(21)16-14(12)20/h3-7H,1-2H3,(H2,15,19)(H,16,21)/b18-17+
InChIKeyFUNWVQRLQHFWGF-ISLYRVAYSA-N
MW282.31 g/mol
LogP2.64
Rot. Bonds2

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

2-amino-7-methyl-3-[(4-methylphenyl)diazenyl]-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 135482837) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-amino-7-methyl-3-[(4-methylphenyl)diazenyl]-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-7-methyl-3-[(4-methylphenyl)diazenyl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID135482837
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name2-amino-7-methyl-3-[(4-methylphenyl)diazenyl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1ccc(/N=N/c2c(N)nn3c(C)cc(=O)[nH]c23)cc1
InChIInChI=1S/C14H14N6O/c1-8-3-5-10(6-4-8)17-18-12-13(15)19-20-9(2)7-11(21)16-14(12)20/h3-7H,1-2H3,(H2,15,19)(H,16,21)/b18-17+
InChIKeyFUNWVQRLQHFWGF-ISLYRVAYSA-N
XLogP2.64
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.64
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'}

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Related Compounds

2-amino-3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135479121
7-amino-8-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135479905
7-amino-8-[(4-chlorophenyl)diazenyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135450958
bis(4-methylphenyl)diazene
CID 10389
7-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135814510
6-amino-1,3-dimethyl-5-[(4-methylphenyl)diazenyl]pyrimidine-2,4-dione
CID 135837405
6-acetyl-2-amino-7-(4-methoxyphenyl)-3-phenyldiazenyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 136736135
3-amino-4-[(4-methylphenyl)diazenyl]-2-phenyl-1H-pyrazol-5-one
CID 135490301
8-[(4-methylphenyl)diazenyl]-3,6-dihydro-2H-pyrrolo[3,2-e]benzotriazol-7-one
CID 135508230
5,7-dimethyl-3-(pyridin-3-yldiazenyl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 2753943
6-hydroxy-5-[(4-methylphenyl)diazenyl]-2-sulfanylidene-1H-pyrimidin-4-one
CID 766619
2,5-diamino-7-(4-hydroxyphenyl)-3-[(4-hydroxyphenyl)diazenyl]pyrazolo[1,5-a]pyrimidine-6-carbonitrile
CID 136698398

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-methyl-3-[(4-methylphenyl)diazenyl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-amino-7-methyl-3-[(4-methylphenyl)diazenyl]-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 135482837) is 2-amino-7-methyl-3-[(4-methylphenyl)diazenyl]-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-amino-7-methyl-3-[(4-methylphenyl)diazenyl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-amino-7-methyl-3-[(4-methylphenyl)diazenyl]-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1ccc(/N=N/c2c(N)nn3c(C)cc(=O)[nH]c23)cc1.
What is the InChIKey of 2-amino-7-methyl-3-[(4-methylphenyl)diazenyl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is FUNWVQRLQHFWGF-ISLYRVAYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-8-3-5-10(6-4-8)17-18-12-13(15)19-20-9(2)7-11(21)16-14(12)20/h3-7H,1-2H3,(H2,15,19)(H,16,21)/b18-17+.
What are the key properties of 2-amino-7-methyl-3-[(4-methylphenyl)diazenyl]-4H-pyrazolo[1,5-a]pyrimidin-5-one?
2-amino-7-methyl-3-[(4-methylphenyl)diazenyl]-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 282.31 g/mol, XLogP of 2.64, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-methyl-3-[(4-methylphenyl)diazenyl]-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 135482837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).