5-(3,4-dimethoxyphenyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one

C17H16N4O3 — CID 135976651

IUPAC5-(3,4-dimethoxyphenyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one
SMILESCOc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2ccccc2)cc1OC
InChIInChI=1S/C17H16N4O3/c1-23-13-9-8-11(10-14(13)24-2)15-16(17(22)21-19-15)20-18-12-6-4-3-5-7-12/h3-10H,1-2H3,(H2,19,21,22)/b20-18+
InChIKeyYRPWRYYFZKENOP-CZIZESTLSA-N
MW324.34 g/mol
LogP3.80
Rot. Bonds5

About 5-(3,4-dimethoxyphenyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one

5-(3,4-dimethoxyphenyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one (PubChem CID 135976651) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one
PubChem CID135976651
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name5-(3,4-dimethoxyphenyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one
SMILESCOc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2ccccc2)cc1OC
InChIInChI=1S/C17H16N4O3/c1-23-13-9-8-11(10-14(13)24-2)15-16(17(22)21-19-15)20-18-12-6-4-3-5-7-12/h3-10H,1-2H3,(H2,19,21,22)/b20-18+
InChIKeyYRPWRYYFZKENOP-CZIZESTLSA-N
XLogP3.80
TPSA91.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-(3,4-dimethoxyphenyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one (CID 135976651) is 5-(3,4-dimethoxyphenyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one is COc1ccc(-c2[nH][nH]c(=O)c2/N=N/c2ccccc2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one?
The InChIKey is YRPWRYYFZKENOP-CZIZESTLSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-23-13-9-8-11(10-14(13)24-2)15-16(17(22)21-19-15)20-18-12-6-4-3-5-7-12/h3-10H,1-2H3,(H2,19,21,22)/b20-18+.
What are the key properties of 5-(3,4-dimethoxyphenyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one?
5-(3,4-dimethoxyphenyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one has a molecular weight of 324.34 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-4-phenyldiazenyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 135976651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).