4-tert-butyl-2-phenyl-6-(3-phenylpyrazol-1-yl)phenol

C25H24N2O — CID 70894908

IUPAC4-tert-butyl-2-phenyl-6-(3-phenylpyrazol-1-yl)phenol
SMILESCC(C)(C)c1cc(-c2ccccc2)c(O)c(-n2ccc(-c3ccccc3)n2)c1
InChIInChI=1S/C25H24N2O/c1-25(2,3)20-16-21(18-10-6-4-7-11-18)24(28)23(17-20)27-15-14-22(26-27)19-12-8-5-9-13-19/h4-17,28H,1-3H3
InChIKeyBOLVGSRUQVFAOR-UHFFFAOYSA-N
MW368.48 g/mol
LogP6.21
Rot. Bonds3

About 4-tert-butyl-2-phenyl-6-(3-phenylpyrazol-1-yl)phenol

4-tert-butyl-2-phenyl-6-(3-phenylpyrazol-1-yl)phenol (PubChem CID 70894908) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-tert-butyl-2-phenyl-6-(3-phenylpyrazol-1-yl)phenol.

Molecular Properties

Compound Name4-tert-butyl-2-phenyl-6-(3-phenylpyrazol-1-yl)phenol
PubChem CID70894908
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name4-tert-butyl-2-phenyl-6-(3-phenylpyrazol-1-yl)phenol
SMILESCC(C)(C)c1cc(-c2ccccc2)c(O)c(-n2ccc(-c3ccccc3)n2)c1
InChIInChI=1S/C25H24N2O/c1-25(2,3)20-16-21(18-10-6-4-7-11-18)24(28)23(17-20)27-15-14-22(26-27)19-12-8-5-9-13-19/h4-17,28H,1-3H3
InChIKeyBOLVGSRUQVFAOR-UHFFFAOYSA-N
XLogP6.21
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-tert-butyl-2-phenyl-6-(3-phenylpyrazol-1-yl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-ditert-butyl-6-phenylphenol;titanium
CID 175919247
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-phenylpyrazole
CID 101073728
N-methyl-2-(3-phenylpyrazol-1-yl)aniline
CID 869424
1-(2-methylthiophen-3-yl)-3-phenylpyrazole
CID 59804975
2,2,2-trifluoro-1-[2-(3-phenylpyrazol-1-yl)phenyl]ethanol
CID 66743644
3-(3-phenylpyrazol-1-yl)-1H-indole
CID 177256581
5-tert-butyl-3-(3-tert-butylphenyl)benzene-1,2-diol
CID 70227483
1-(3,4-dimethylphenyl)-3-phenylpyrazole
CID 135064908
4-tert-butyl-1,2-diphenylbenzene;sulfane
CID 174786417
3-[1-(2-fluorophenyl)pyrazol-3-yl]benzoic acid
CID 11558235
4-tert-butyl-2-(3-tert-butyl-8,8-dimethyl-7-oxabicyclo[4.2.0]octa-1,3,5-trien-5-yl)-6-phenylphenol
CID 123167940
4-tert-butyl-2-phenyl-6-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]phenol
CID 136609086

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-phenyl-6-(3-phenylpyrazol-1-yl)phenol?
The IUPAC name of 4-tert-butyl-2-phenyl-6-(3-phenylpyrazol-1-yl)phenol (CID 70894908) is 4-tert-butyl-2-phenyl-6-(3-phenylpyrazol-1-yl)phenol.
What is the SMILES notation for 4-tert-butyl-2-phenyl-6-(3-phenylpyrazol-1-yl)phenol?
The canonical SMILES for 4-tert-butyl-2-phenyl-6-(3-phenylpyrazol-1-yl)phenol is CC(C)(C)c1cc(-c2ccccc2)c(O)c(-n2ccc(-c3ccccc3)n2)c1.
What is the InChIKey of 4-tert-butyl-2-phenyl-6-(3-phenylpyrazol-1-yl)phenol?
The InChIKey is BOLVGSRUQVFAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-25(2,3)20-16-21(18-10-6-4-7-11-18)24(28)23(17-20)27-15-14-22(26-27)19-12-8-5-9-13-19/h4-17,28H,1-3H3.
What are the key properties of 4-tert-butyl-2-phenyl-6-(3-phenylpyrazol-1-yl)phenol?
4-tert-butyl-2-phenyl-6-(3-phenylpyrazol-1-yl)phenol has a molecular weight of 368.48 g/mol, XLogP of 6.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-phenyl-6-(3-phenylpyrazol-1-yl)phenol is sourced from PubChem (CID 70894908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).