5-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one

C18H18N4O4 — CID 135976629

IUPAC5-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one
SMILESCOc1ccc(/N=N/c2c(-c3ccc(OC)c(OC)c3)[nH][nH]c2=O)cc1
InChIInChI=1S/C18H18N4O4/c1-24-13-7-5-12(6-8-13)19-21-17-16(20-22-18(17)23)11-4-9-14(25-2)15(10-11)26-3/h4-10H,1-3H3,(H2,20,22,23)/b21-19+
InChIKeyUXWRWHZBKWMSGY-XUTLUUPISA-N
MW354.37 g/mol
LogP3.81
Rot. Bonds6

About 5-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one

5-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one (PubChem CID 135976629) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one
PubChem CID135976629
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC Name5-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one
SMILESCOc1ccc(/N=N/c2c(-c3ccc(OC)c(OC)c3)[nH][nH]c2=O)cc1
InChIInChI=1S/C18H18N4O4/c1-24-13-7-5-12(6-8-13)19-21-17-16(20-22-18(17)23)11-4-9-14(25-2)15(10-11)26-3/h4-10H,1-3H3,(H2,20,22,23)/b21-19+
InChIKeyUXWRWHZBKWMSGY-XUTLUUPISA-N
XLogP3.81
TPSA101.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.81
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

4-[(3-chlorophenyl)diazenyl]-5-(4-methoxyphenyl)-1,2-dihydropyrazol-3-one
CID 135976643
4-[[3-(3-aminophenyl)-4-(trifluoromethoxy)phenyl]diazenyl]-5-(3,4-dimethoxyphenyl)-1,2-dihydropyrazol-3-one
CID 135452891
5-(2,5-dimethoxyphenyl)-4-[(3-methoxy-4-phenylphenyl)diazenyl]-1,2-dihydropyrazol-3-one
CID 135685805
5-hydroxy-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one
CID 135709862
5-(3,4-dimethoxyphenyl)-4-[(4-phenoxyphenyl)iminomethyl]-1,2-dihydropyrazol-3-one
CID 135449964
5-(2,4-dimethoxyphenyl)-4-[[3-[4-(hydroxymethyl)phenyl]-4-methylphenyl]diazenyl]-1,2-dihydropyrazol-3-one
CID 135685785
5-(2,5-dimethoxyphenyl)-4-[(4-methyl-3-pyridin-3-ylphenyl)diazenyl]-1,2-dihydropyrazol-3-one
CID 135433115
6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)-3-methylpyran-2-one
CID 164684649
(4-methoxyphenyl)-methyldiazene
CID 20589170
4-(4-methoxyphenyl)-5-methyl-1,2-dihydropyrazol-3-one
CID 68573583
4-(3,4-dimethoxyphenyl)-7-methoxychromen-2-one
CID 46879082
(4-methoxyphenyl)-naphthalen-2-yldiazene
CID 572318

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one (CID 135976629) is 5-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one is COc1ccc(/N=N/c2c(-c3ccc(OC)c(OC)c3)[nH][nH]c2=O)cc1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one?
The InChIKey is UXWRWHZBKWMSGY-XUTLUUPISA-N. The full InChI is InChI=1S/C18H18N4O4/c1-24-13-7-5-12(6-8-13)19-21-17-16(20-22-18(17)23)11-4-9-14(25-2)15(10-11)26-3/h4-10H,1-3H3,(H2,20,22,23)/b21-19+.
What are the key properties of 5-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one?
5-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one has a molecular weight of 354.37 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-4-[(4-methoxyphenyl)diazenyl]-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 135976629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).