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

C15H16N6O — CID 135479121

IUPAC2-amino-3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1ccc(/N=N/c2c(N)nn3c(C)cc(=O)[nH]c23)c(C)c1
InChIInChI=1S/C15H16N6O/c1-8-4-5-11(9(2)6-8)18-19-13-14(16)20-21-10(3)7-12(22)17-15(13)21/h4-7H,1-3H3,(H2,16,20)(H,17,22)/b19-18+
InChIKeyQGZJSGPFLHPSKN-VHEBQXMUSA-N
MW296.33 g/mol
LogP2.95
Rot. Bonds2

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

2-amino-3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 135479121) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-amino-3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID135479121
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name2-amino-3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1ccc(/N=N/c2c(N)nn3c(C)cc(=O)[nH]c23)c(C)c1
InChIInChI=1S/C15H16N6O/c1-8-4-5-11(9(2)6-8)18-19-13-14(16)20-21-10(3)7-12(22)17-15(13)21/h4-7H,1-3H3,(H2,16,20)(H,17,22)/b19-18+
InChIKeyQGZJSGPFLHPSKN-VHEBQXMUSA-N
XLogP2.95
TPSA100.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.95
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-7-methyl-3-[(4-methylphenyl)diazenyl]-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135482837
2,4-diamino-5-[(2,4-dimethylphenyl)diazenyl]-1H-pyrimidin-6-one
CID 135515796
7-amino-8-[(4-methylphenyl)diazenyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135479905
4-[(2,4-dimethylphenyl)diazenyl]-3-methyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-5-olate
CID 136775446
3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-1H-indol-2-ol
CID 136867577
7-amino-8-[(4-chlorophenyl)diazenyl]-1H-pyrazolo[1,5-a][1,3,5]triazine-2,4-dione
CID 135450958
7-methyl-N-(4-methylphenyl)-2-methylsulfanyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 135814510
4-[(2,4-dimethylphenyl)diazenyl]-5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-3-one
CID 2838131
[2-[(2,4-dimethylphenyl)diazenyl]-3,5-dimethylphenyl]-phenylmethanone
CID 72700948
5-amino-4-[(2-hydroxy-5-methylphenyl)diazenyl]-2-methyl-1H-pyrazol-3-one
CID 1494896
2-amino-1H-pyrimidin-6-one;2,4-dimethylbenzoic acid
CID 67238302
4-[(4-amino-2-methylphenyl)diazenyl]-3-methylaniline
CID 21443876

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2-amino-3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 135479121) is 2-amino-3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2-amino-3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2-amino-3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1ccc(/N=N/c2c(N)nn3c(C)cc(=O)[nH]c23)c(C)c1.
What is the InChIKey of 2-amino-3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is QGZJSGPFLHPSKN-VHEBQXMUSA-N. The full InChI is InChI=1S/C15H16N6O/c1-8-4-5-11(9(2)6-8)18-19-13-14(16)20-21-10(3)7-12(22)17-15(13)21/h4-7H,1-3H3,(H2,16,20)(H,17,22)/b19-18+.
What are the key properties of 2-amino-3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
2-amino-3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 296.33 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2,4-dimethylphenyl)diazenyl]-7-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 135479121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).