[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(trifluoromethyl)phenyl]diazene

C17H13F3N4O — CID 3782731

IUPAC[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(trifluoromethyl)phenyl]diazene
SMILESCOc1ccc(-c2[nH]ncc2/N=N/c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H13F3N4O/c1-25-14-8-2-11(3-9-14)16-15(10-21-24-16)23-22-13-6-4-12(5-7-13)17(18,19)20/h2-10H,1H3,(H,21,24)/b23-22+
InChIKeyHUZYGFFNCRWXCN-GHVJWSGMSA-N
MW346.31 g/mol
LogP5.52
Rot. Bonds4

About [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(trifluoromethyl)phenyl]diazene

[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(trifluoromethyl)phenyl]diazene (PubChem CID 3782731) has the molecular formula C17H13F3N4O and a molecular weight of 346.31 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(trifluoromethyl)phenyl]diazene.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(trifluoromethyl)phenyl]diazene
PubChem CID3782731
Molecular FormulaC17H13F3N4O
Molecular Weight346.31 g/mol
Exact Mass346.10
IUPAC Name[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(trifluoromethyl)phenyl]diazene
SMILESCOc1ccc(-c2[nH]ncc2/N=N/c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H13F3N4O/c1-25-14-8-2-11(3-9-14)16-15(10-21-24-16)23-22-13-6-4-12(5-7-13)17(18,19)20/h2-10H,1H3,(H,21,24)/b23-22+
InChIKeyHUZYGFFNCRWXCN-GHVJWSGMSA-N
XLogP5.52
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.31
LogP ≤ 55.52
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 [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(trifluoromethyl)phenyl]diazene?
The IUPAC name of [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(trifluoromethyl)phenyl]diazene (CID 3782731) is [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(trifluoromethyl)phenyl]diazene.
What is the SMILES notation for [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(trifluoromethyl)phenyl]diazene?
The canonical SMILES for [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(trifluoromethyl)phenyl]diazene is COc1ccc(-c2[nH]ncc2/N=N/c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(trifluoromethyl)phenyl]diazene?
The InChIKey is HUZYGFFNCRWXCN-GHVJWSGMSA-N. The full InChI is InChI=1S/C17H13F3N4O/c1-25-14-8-2-11(3-9-14)16-15(10-21-24-16)23-22-13-6-4-12(5-7-13)17(18,19)20/h2-10H,1H3,(H,21,24)/b23-22+.
What are the key properties of [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(trifluoromethyl)phenyl]diazene?
[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(trifluoromethyl)phenyl]diazene has a molecular weight of 346.31 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1H-pyrazol-4-yl]-[4-(trifluoromethyl)phenyl]diazene is sourced from PubChem (CID 3782731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).