4-[[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]diazenyl]phenol

C18H15F3N4O — CID 156631018

IUPAC4-[[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]diazenyl]phenol
SMILESCc1nn(-c2ccc(C(F)(F)F)cc2)c(C)c1/N=N/c1ccc(O)cc1
InChIInChI=1S/C18H15F3N4O/c1-11-17(23-22-14-5-9-16(26)10-6-14)12(2)25(24-11)15-7-3-13(4-8-15)18(19,20)21/h3-10,26H,1-2H3/b23-22+
InChIKeyZIVNZBGTJWNKQU-GHVJWSGMSA-N
MW360.34 g/mol
LogP5.63
Rot. Bonds3

About 4-[[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]diazenyl]phenol

4-[[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]diazenyl]phenol (PubChem CID 156631018) has the molecular formula C18H15F3N4O and a molecular weight of 360.34 g/mol. Its IUPAC name is 4-[[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]diazenyl]phenol.

Molecular Properties

Compound Name4-[[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]diazenyl]phenol
PubChem CID156631018
Molecular FormulaC18H15F3N4O
Molecular Weight360.34 g/mol
Exact Mass360.12
IUPAC Name4-[[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]diazenyl]phenol
SMILESCc1nn(-c2ccc(C(F)(F)F)cc2)c(C)c1/N=N/c1ccc(O)cc1
InChIInChI=1S/C18H15F3N4O/c1-11-17(23-22-14-5-9-16(26)10-6-14)12(2)25(24-11)15-7-3-13(4-8-15)18(19,20)21/h3-10,26H,1-2H3/b23-22+
InChIKeyZIVNZBGTJWNKQU-GHVJWSGMSA-N
XLogP5.63
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.34
LogP ≤ 55.63
H-Bond Donors ≤ 51
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 4-[[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]diazenyl]phenol?
The IUPAC name of 4-[[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]diazenyl]phenol (CID 156631018) is 4-[[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]diazenyl]phenol.
What is the SMILES notation for 4-[[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]diazenyl]phenol?
The canonical SMILES for 4-[[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]diazenyl]phenol is Cc1nn(-c2ccc(C(F)(F)F)cc2)c(C)c1/N=N/c1ccc(O)cc1.
What is the InChIKey of 4-[[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]diazenyl]phenol?
The InChIKey is ZIVNZBGTJWNKQU-GHVJWSGMSA-N. The full InChI is InChI=1S/C18H15F3N4O/c1-11-17(23-22-14-5-9-16(26)10-6-14)12(2)25(24-11)15-7-3-13(4-8-15)18(19,20)21/h3-10,26H,1-2H3/b23-22+.
What are the key properties of 4-[[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]diazenyl]phenol?
4-[[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]diazenyl]phenol has a molecular weight of 360.34 g/mol, XLogP of 5.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]diazenyl]phenol is sourced from PubChem (CID 156631018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).