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

C25H24N2O — CID 135536817

IUPAC2-[5-(4-tert-butylphenyl)-1-phenylpyrazol-3-yl]phenol
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccccc3O)nn2-c2ccccc2)cc1
InChIInChI=1S/C25H24N2O/c1-25(2,3)19-15-13-18(14-16-19)23-17-22(21-11-7-8-12-24(21)28)26-27(23)20-9-5-4-6-10-20/h4-17,28H,1-3H3
InChIKeyDFXCUJZGJNIDDL-UHFFFAOYSA-N
MW368.48 g/mol
LogP6.21
Rot. Bonds3

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

2-[5-(4-tert-butylphenyl)-1-phenylpyrazol-3-yl]phenol (PubChem CID 135536817) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[5-(4-tert-butylphenyl)-1-phenylpyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-(4-tert-butylphenyl)-1-phenylpyrazol-3-yl]phenol
PubChem CID135536817
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name2-[5-(4-tert-butylphenyl)-1-phenylpyrazol-3-yl]phenol
SMILESCC(C)(C)c1ccc(-c2cc(-c3ccccc3O)nn2-c2ccccc2)cc1
InChIInChI=1S/C25H24N2O/c1-25(2,3)19-15-13-18(14-16-19)23-17-22(21-11-7-8-12-24(21)28)26-27(23)20-9-5-4-6-10-20/h4-17,28H,1-3H3
InChIKeyDFXCUJZGJNIDDL-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

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Related Compounds

3-(4-tert-butylphenyl)-5-(4-methylphenyl)-1-phenylpyrazole
CID 102338518
2-[5-(3-hydroxyphenyl)-1-phenylpyrazol-3-yl]phenol
CID 135497208
4-[3-(4-tert-butylphenyl)-5-(4-phenylphenyl)pyrazol-1-yl]-N,N-diphenylaniline
CID 59499889
3-[2-[2-[4-[5-(4-tert-butylphenyl)-3-phenylpyrazol-1-yl]phenyl]phenyl]phenyl]-9-phenylcarbazole
CID 59501207
4-[3-[2-(4-tert-butylphenyl)ethenyl]-1-phenylpyrazol-5-yl]phenol
CID 136608073
3,6-ditert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501357
1,3,5-triphenylpyrazole
CID 626614
3-tert-butyl-9-[4-[2-[2-[4-(3,5-diphenylpyrazol-1-yl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 59501172
3-(4-fluorophenyl)-1,5-diphenylpyrazole
CID 14978147
1-(4-fluorophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole
CID 71568811
1-(4-bromophenyl)-3-(2-methoxyphenyl)-5-phenylpyrazole
CID 71568812
4-[1-(4-aminophenyl)-3-phenylpyrazol-5-yl]aniline
CID 71342425

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-tert-butylphenyl)-1-phenylpyrazol-3-yl]phenol?
The IUPAC name of 2-[5-(4-tert-butylphenyl)-1-phenylpyrazol-3-yl]phenol (CID 135536817) is 2-[5-(4-tert-butylphenyl)-1-phenylpyrazol-3-yl]phenol.
What is the SMILES notation for 2-[5-(4-tert-butylphenyl)-1-phenylpyrazol-3-yl]phenol?
The canonical SMILES for 2-[5-(4-tert-butylphenyl)-1-phenylpyrazol-3-yl]phenol is CC(C)(C)c1ccc(-c2cc(-c3ccccc3O)nn2-c2ccccc2)cc1.
What is the InChIKey of 2-[5-(4-tert-butylphenyl)-1-phenylpyrazol-3-yl]phenol?
The InChIKey is DFXCUJZGJNIDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c1-25(2,3)19-15-13-18(14-16-19)23-17-22(21-11-7-8-12-24(21)28)26-27(23)20-9-5-4-6-10-20/h4-17,28H,1-3H3.
What are the key properties of 2-[5-(4-tert-butylphenyl)-1-phenylpyrazol-3-yl]phenol?
2-[5-(4-tert-butylphenyl)-1-phenylpyrazol-3-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 2-[5-(4-tert-butylphenyl)-1-phenylpyrazol-3-yl]phenol is sourced from PubChem (CID 135536817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).