4-[3-[2-(4-tert-butylphenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol

C27H26N2O — CID 136608073

IUPAC4-[3-[2-(4-tert-butylphenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol
SMILESCC(C)(C)c1ccc(C=Cc2cc(-c3ccc(O)cc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C27H26N2O/c1-27(2,3)22-14-9-20(10-15-22)11-16-23-19-26(21-12-17-25(30)18-13-21)29(28-23)24-7-5-4-6-8-24/h4-19,30H,1-3H3
InChIKeyQAIFBFDLRRMFQD-UHFFFAOYSA-N
MW394.52 g/mol
LogP6.71
Rot. Bonds4

About 4-[3-[2-(4-tert-butylphenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol

4-[3-[2-(4-tert-butylphenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol (PubChem CID 136608073) has the molecular formula C27H26N2O and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-[3-[2-(4-tert-butylphenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[3-[2-(4-tert-butylphenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol
PubChem CID136608073
Molecular FormulaC27H26N2O
Molecular Weight394.52 g/mol
Exact Mass394.20
IUPAC Name4-[3-[2-(4-tert-butylphenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol
SMILESCC(C)(C)c1ccc(C=Cc2cc(-c3ccc(O)cc3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C27H26N2O/c1-27(2,3)22-14-9-20(10-15-22)11-16-23-19-26(21-12-17-25(30)18-13-21)29(28-23)24-7-5-4-6-8-24/h4-19,30H,1-3H3
InChIKeyQAIFBFDLRRMFQD-UHFFFAOYSA-N
XLogP6.71
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-methoxyphenyl)-1-phenyl-3-[(E)-2-phenylethenyl]pyrazole
CID 11057297
1-(4-tert-butylphenyl)-5-(4-dodecylphenyl)-3-[2-(4-dodecylphenyl)ethenyl]pyrazole
CID 91235313
2-[5-(4-tert-butylphenyl)-1-phenylpyrazol-3-yl]phenol
CID 135536817
4-[2-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]ethenyl]-N,N-dimethylaniline
CID 57080412
3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole
CID 102338518
1-phenyl-3,5-bis[(E)-2-phenylethenyl]pyrazole
CID 11302502
3-[2-[3-[2-(3-hydroxyphenyl)ethenyl]-1-phenylpyrazol-5-yl]ethenyl]phenol
CID 71416893
4-[2-(4-phenylphenyl)ethenyl]phenol
CID 73178657
5-[(E)-2-(4-tert-butylphenyl)ethenyl]benzene-1,3-diol
CID 71454329
4-[3-(4-tert-butylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]-N,N-diphenylaniline
CID 59499889
1-tert-butyl-4-ethenylbenzene;4-ethenylphenol;styrene
CID 174491340
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(4-tert-butylphenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol?
The IUPAC name of 4-[3-[2-(4-tert-butylphenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol (CID 136608073) is 4-[3-[2-(4-tert-butylphenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol.
What is the SMILES notation for 4-[3-[2-(4-tert-butylphenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol?
The canonical SMILES for 4-[3-[2-(4-tert-butylphenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol is CC(C)(C)c1ccc(C=Cc2cc(-c3ccc(O)cc3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of 4-[3-[2-(4-tert-butylphenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol?
The InChIKey is QAIFBFDLRRMFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O/c1-27(2,3)22-14-9-20(10-15-22)11-16-23-19-26(21-12-17-25(30)18-13-21)29(28-23)24-7-5-4-6-8-24/h4-19,30H,1-3H3.
What are the key properties of 4-[3-[2-(4-tert-butylphenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol?
4-[3-[2-(4-tert-butylphenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol has a molecular weight of 394.52 g/mol, XLogP of 6.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(4-tert-butylphenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol is sourced from PubChem (CID 136608073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).