dimethyl 4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazole-3,5-dicarboxylate

C19H16N6O4 — CID 135926885

IUPACdimethyl 4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazole-3,5-dicarboxylate
SMILESCOC(=O)c1n[nH]c(C(=O)OC)c1/N=N/c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C19H16N6O4/c1-28-18(26)16-15(17(25-24-16)19(27)29-2)23-22-14-10-8-13(9-11-14)21-20-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,24,25)/b21-20+,23-22+
InChIKeyWZLDZYBEVGPERV-RLJRJAJVSA-N
MW392.38 g/mol
LogP4.81
Rot. Bonds6

About dimethyl 4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazole-3,5-dicarboxylate

dimethyl 4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazole-3,5-dicarboxylate (PubChem CID 135926885) has the molecular formula C19H16N6O4 and a molecular weight of 392.38 g/mol. Its IUPAC name is dimethyl 4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazole-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazole-3,5-dicarboxylate
PubChem CID135926885
Molecular FormulaC19H16N6O4
Molecular Weight392.38 g/mol
Exact Mass392.12
IUPAC Namedimethyl 4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazole-3,5-dicarboxylate
SMILESCOC(=O)c1n[nH]c(C(=O)OC)c1/N=N/c1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C19H16N6O4/c1-28-18(26)16-15(17(25-24-16)19(27)29-2)23-22-14-10-8-13(9-11-14)21-20-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,24,25)/b21-20+,23-22+
InChIKeyWZLDZYBEVGPERV-RLJRJAJVSA-N
XLogP4.81
TPSA130.72 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

ethyl 5-(oxan-4-yl)-4-phenyldiazenyl-1H-pyrazole-3-carboxylate
CID 136634363
methyl 6-oxo-4-phenyl-1H-pyridazine-3-carboxylate
CID 177237399
dimethyl 3-(furan-2-carbonyl)-1H-pyrazole-4,5-dicarboxylate
CID 5256064
4-bromo-5-methoxycarbonyl-1H-pyrazole-3-carboxylic acid
CID 83900307
dimethyl 4-nitro-1H-pyrazole-3,5-dicarboxylate
CID 1421248
methyl 2H-benzo[g]indazole-3-carboxylate
CID 141005512
methyl 4-[[phenyl(phenyldiazenyl)methylidene]amino]benzoate
CID 20833878
methyl 4-[(3-oxo-2-phenyl-1H-pyrazol-4-yl)diazenyl]benzoate
CID 135790030
diphenyldiazene;urea
CID 175083568
(3-acetyloxy-2-phenyldiazenylphenyl) acetate
CID 134935103
propan-2-yl 4-phenyldiazenylbenzoate
CID 89049072
methyl 6-acetyl-4-chloro-7-phenyl-2H-indazole-3-carboxylate
CID 129097660

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazole-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazole-3,5-dicarboxylate (CID 135926885) is dimethyl 4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazole-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazole-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazole-3,5-dicarboxylate is COC(=O)c1n[nH]c(C(=O)OC)c1/N=N/c1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of dimethyl 4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazole-3,5-dicarboxylate?
The InChIKey is WZLDZYBEVGPERV-RLJRJAJVSA-N. The full InChI is InChI=1S/C19H16N6O4/c1-28-18(26)16-15(17(25-24-16)19(27)29-2)23-22-14-10-8-13(9-11-14)21-20-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,24,25)/b21-20+,23-22+.
What are the key properties of dimethyl 4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazole-3,5-dicarboxylate?
dimethyl 4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazole-3,5-dicarboxylate has a molecular weight of 392.38 g/mol, XLogP of 4.81, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-[(4-phenyldiazenylphenyl)diazenyl]-1H-pyrazole-3,5-dicarboxylate is sourced from PubChem (CID 135926885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).