[2-(2,4-dichlorophenoxy)phenyl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)diazene

C23H18Cl2N4O — CID 2805129

IUPAC[2-(2,4-dichlorophenoxy)phenyl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)diazene
SMILESCc1nn(-c2ccccc2)c(C)c1/N=N\c1ccccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H18Cl2N4O/c1-15-23(16(2)29(28-15)18-8-4-3-5-9-18)27-26-20-10-6-7-11-22(20)30-21-13-12-17(24)14-19(21)25/h3-14H,1-2H3/b27-26-
InChIKeyLHFPYKILQZJXPH-RQZHXJHFSA-N
MW437.33 g/mol
LogP8.00
Rot. Bonds5

About [2-(2,4-dichlorophenoxy)phenyl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)diazene

[2-(2,4-dichlorophenoxy)phenyl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)diazene (PubChem CID 2805129) has the molecular formula C23H18Cl2N4O and a molecular weight of 437.33 g/mol. Its IUPAC name is [2-(2,4-dichlorophenoxy)phenyl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)diazene.

Molecular Properties

Compound Name[2-(2,4-dichlorophenoxy)phenyl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)diazene
PubChem CID2805129
Molecular FormulaC23H18Cl2N4O
Molecular Weight437.33 g/mol
Exact Mass436.09
IUPAC Name[2-(2,4-dichlorophenoxy)phenyl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)diazene
SMILESCc1nn(-c2ccccc2)c(C)c1/N=N\c1ccccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H18Cl2N4O/c1-15-23(16(2)29(28-15)18-8-4-3-5-9-18)27-26-20-10-6-7-11-22(20)30-21-13-12-17(24)14-19(21)25/h3-14H,1-2H3/b27-26-
InChIKeyLHFPYKILQZJXPH-RQZHXJHFSA-N
XLogP8.00
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.33
LogP ≤ 58.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 [2-(2,4-dichlorophenoxy)phenyl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)diazene?
The IUPAC name of [2-(2,4-dichlorophenoxy)phenyl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)diazene (CID 2805129) is [2-(2,4-dichlorophenoxy)phenyl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)diazene.
What is the SMILES notation for [2-(2,4-dichlorophenoxy)phenyl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)diazene?
The canonical SMILES for [2-(2,4-dichlorophenoxy)phenyl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)diazene is Cc1nn(-c2ccccc2)c(C)c1/N=N\c1ccccc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-(2,4-dichlorophenoxy)phenyl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)diazene?
The InChIKey is LHFPYKILQZJXPH-RQZHXJHFSA-N. The full InChI is InChI=1S/C23H18Cl2N4O/c1-15-23(16(2)29(28-15)18-8-4-3-5-9-18)27-26-20-10-6-7-11-22(20)30-21-13-12-17(24)14-19(21)25/h3-14H,1-2H3/b27-26-.
What are the key properties of [2-(2,4-dichlorophenoxy)phenyl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)diazene?
[2-(2,4-dichlorophenoxy)phenyl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)diazene has a molecular weight of 437.33 g/mol, XLogP of 8.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dichlorophenoxy)phenyl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)diazene is sourced from PubChem (CID 2805129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).