[5-(4-methylphenyl)-1H-pyrazol-3-yl]-(2,4,6-trimethoxyphenyl)diazene

C19H20N4O3 — CID 136664334

IUPAC[5-(4-methylphenyl)-1H-pyrazol-3-yl]-(2,4,6-trimethoxyphenyl)diazene
SMILESCOc1cc(OC)c(/N=N/c2cc(-c3ccc(C)cc3)[nH]n2)c(OC)c1
InChIInChI=1S/C19H20N4O3/c1-12-5-7-13(8-6-12)15-11-18(21-20-15)22-23-19-16(25-3)9-14(24-2)10-17(19)26-4/h5-11H,1-4H3,(H,20,21)/b23-22+
InChIKeyPWJOUZOOCVXTAW-GHVJWSGMSA-N
MW352.39 g/mol
LogP4.83
Rot. Bonds6

About [5-(4-methylphenyl)-1H-pyrazol-3-yl]-(2,4,6-trimethoxyphenyl)diazene

[5-(4-methylphenyl)-1H-pyrazol-3-yl]-(2,4,6-trimethoxyphenyl)diazene (PubChem CID 136664334) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is [5-(4-methylphenyl)-1H-pyrazol-3-yl]-(2,4,6-trimethoxyphenyl)diazene.

Molecular Properties

Compound Name[5-(4-methylphenyl)-1H-pyrazol-3-yl]-(2,4,6-trimethoxyphenyl)diazene
PubChem CID136664334
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name[5-(4-methylphenyl)-1H-pyrazol-3-yl]-(2,4,6-trimethoxyphenyl)diazene
SMILESCOc1cc(OC)c(/N=N/c2cc(-c3ccc(C)cc3)[nH]n2)c(OC)c1
InChIInChI=1S/C19H20N4O3/c1-12-5-7-13(8-6-12)15-11-18(21-20-15)22-23-19-16(25-3)9-14(24-2)10-17(19)26-4/h5-11H,1-4H3,(H,20,21)/b23-22+
InChIKeyPWJOUZOOCVXTAW-GHVJWSGMSA-N
XLogP4.83
TPSA81.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.83
H-Bond Donors ≤ 51
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

N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 30000054
5-[4-(4-tert-butylphenyl)phenyl]-3-(4-methoxyphenyl)-1H-pyrazole
CID 166627944
4,6-dimethoxy-2-methyl-3-(4-methylphenyl)-1-benzofuran
CID 71423688
5-(4-bromophenyl)-3-(4-methoxyphenyl)-1H-pyrazole
CID 46888077
2-N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]-4-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536686
3-(4-fluorophenyl)-4-[(2,4,6-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
CID 23376133
4-N-(2,4-dimethoxy-6-methylphenyl)-1-N,1-N-bis(4-methylphenyl)-4-N-(2,4,6-trimethoxyphenyl)benzene-1,4-diamine
CID 134339163
5-(4-methylphenyl)-3-phenyl-1H-pyrazole
CID 11506914
5-[4-(2,4-dimethoxyphenyl)phenyl]-N-phenyl-1H-pyrazol-3-amine
CID 59989230
1-(113C)methoxy-4-methylbenzene
CID 166176950
5-(3,5-dimethoxyphenyl)-1H-pyrazol-3-amine
CID 18526074
3-(4-methylphenyl)-5-nitroso-2H-indeno[1,2-c]pyridazine
CID 1471355

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylphenyl)-1H-pyrazol-3-yl]-(2,4,6-trimethoxyphenyl)diazene?
The IUPAC name of [5-(4-methylphenyl)-1H-pyrazol-3-yl]-(2,4,6-trimethoxyphenyl)diazene (CID 136664334) is [5-(4-methylphenyl)-1H-pyrazol-3-yl]-(2,4,6-trimethoxyphenyl)diazene.
What is the SMILES notation for [5-(4-methylphenyl)-1H-pyrazol-3-yl]-(2,4,6-trimethoxyphenyl)diazene?
The canonical SMILES for [5-(4-methylphenyl)-1H-pyrazol-3-yl]-(2,4,6-trimethoxyphenyl)diazene is COc1cc(OC)c(/N=N/c2cc(-c3ccc(C)cc3)[nH]n2)c(OC)c1.
What is the InChIKey of [5-(4-methylphenyl)-1H-pyrazol-3-yl]-(2,4,6-trimethoxyphenyl)diazene?
The InChIKey is PWJOUZOOCVXTAW-GHVJWSGMSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-12-5-7-13(8-6-12)15-11-18(21-20-15)22-23-19-16(25-3)9-14(24-2)10-17(19)26-4/h5-11H,1-4H3,(H,20,21)/b23-22+.
What are the key properties of [5-(4-methylphenyl)-1H-pyrazol-3-yl]-(2,4,6-trimethoxyphenyl)diazene?
[5-(4-methylphenyl)-1H-pyrazol-3-yl]-(2,4,6-trimethoxyphenyl)diazene has a molecular weight of 352.39 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylphenyl)-1H-pyrazol-3-yl]-(2,4,6-trimethoxyphenyl)diazene is sourced from PubChem (CID 136664334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).