(3,5-dimethylphenyl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]diazene

C18H18N4O — CID 1471430

IUPAC(3,5-dimethylphenyl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]diazene
SMILESCOc1ccc(-c2[nH]ncc2/N=N/c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C18H18N4O/c1-12-8-13(2)10-15(9-12)20-21-17-11-19-22-18(17)14-4-6-16(23-3)7-5-14/h4-11H,1-3H3,(H,19,22)/b21-20+
InChIKeyDDRFAYPMWRMIPL-QZQOTICOSA-N
MW306.37 g/mol
LogP5.12
Rot. Bonds4

About (3,5-dimethylphenyl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]diazene

(3,5-dimethylphenyl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]diazene (PubChem CID 1471430) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]diazene.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]diazene
PubChem CID1471430
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name(3,5-dimethylphenyl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]diazene
SMILESCOc1ccc(-c2[nH]ncc2/N=N/c2cc(C)cc(C)c2)cc1
InChIInChI=1S/C18H18N4O/c1-12-8-13(2)10-15(9-12)20-21-17-11-19-22-18(17)14-4-6-16(23-3)7-5-14/h4-11H,1-3H3,(H,19,22)/b21-20+
InChIKeyDDRFAYPMWRMIPL-QZQOTICOSA-N
XLogP5.12
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.37
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (3,5-dimethylphenyl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]diazene?
The IUPAC name of (3,5-dimethylphenyl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]diazene (CID 1471430) is (3,5-dimethylphenyl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]diazene.
What is the SMILES notation for (3,5-dimethylphenyl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]diazene?
The canonical SMILES for (3,5-dimethylphenyl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]diazene is COc1ccc(-c2[nH]ncc2/N=N/c2cc(C)cc(C)c2)cc1.
What is the InChIKey of (3,5-dimethylphenyl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]diazene?
The InChIKey is DDRFAYPMWRMIPL-QZQOTICOSA-N. The full InChI is InChI=1S/C18H18N4O/c1-12-8-13(2)10-15(9-12)20-21-17-11-19-22-18(17)14-4-6-16(23-3)7-5-14/h4-11H,1-3H3,(H,19,22)/b21-20+.
What are the key properties of (3,5-dimethylphenyl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]diazene?
(3,5-dimethylphenyl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]diazene has a molecular weight of 306.37 g/mol, XLogP of 5.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]diazene is sourced from PubChem (CID 1471430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).