4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide

C33H32N4O2 — CID 10208008

IUPAC4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide
SMILESCC(C)(C)c1ccc(-n2nc(-c3ccccn3)cc2-c2ccc(C(=O)NCCc3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C33H32N4O2/c1-33(2,3)26-13-15-27(16-14-26)37-31(22-30(36-37)29-6-4-5-20-34-29)24-9-11-25(12-10-24)32(39)35-21-19-23-7-17-28(38)18-8-23/h4-18,20,22,38H,19,21H2,1-3H3,(H,35,39)
InChIKeyJJRPKDSOILQFFM-UHFFFAOYSA-N
MW516.65 g/mol
LogP6.58
Rot. Bonds7

About 4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide

4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide (PubChem CID 10208008) has the molecular formula C33H32N4O2 and a molecular weight of 516.65 g/mol. Its IUPAC name is 4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide
PubChem CID10208008
Molecular FormulaC33H32N4O2
Molecular Weight516.65 g/mol
Exact Mass516.25
IUPAC Name4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide
SMILESCC(C)(C)c1ccc(-n2nc(-c3ccccn3)cc2-c2ccc(C(=O)NCCc3ccc(O)cc3)cc2)cc1
InChIInChI=1S/C33H32N4O2/c1-33(2,3)26-13-15-27(16-14-26)37-31(22-30(36-37)29-6-4-5-20-34-29)24-9-11-25(12-10-24)32(39)35-21-19-23-7-17-28(38)18-8-23/h4-18,20,22,38H,19,21H2,1-3H3,(H,35,39)
InChIKeyJJRPKDSOILQFFM-UHFFFAOYSA-N
XLogP6.58
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.65
LogP ≤ 56.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-N-[1-Amino-3-(4-hydroxyphenyl)-1-oxo-2-propyl]-5-[1-[4-(tert-butyl)phenyl]-3-(3-pyridyl)-5-pyrazolyl]pentanamide
CID 9915237
N-[1-(4-hydroxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
CID 50898225
(S)-N-(1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-5-(1-(4-tert-butylphenyl)-3-(pyridin-4-yl)-1H-pyrazol-5-yl)pentanamide
CID 44440746
N-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-3-(1-(4-tert-butylphenyl)-3-(isoquinolin-3-yl)-1H-pyrazol-5-yl)benzamide
CID 44440748
3-[4-(4-hydroxyphenyl)phenyl]-N-(pyridin-2-ylmethyl)-1,4-dihydroindeno[2,1-d]pyrazole-6-carboxamide
CID 135796852
3-[4-(4-hydroxyphenyl)phenyl]-N-(pyridin-4-ylmethyl)-1,4-dihydroindeno[2,1-d]pyrazole-6-carboxamide
CID 136060555
N-((S)-2-amino-1-(4-hydroxyphenyl)-2-oxoethyl)-6-(1-(4-tert-butylphenyl)-3-(pyridin-2-yl)-1H-pyrazol-5-ylamino)hexanamide
CID 44440751
N-(4-hydroxyphenethyl)-5-(1-(4-tert-butylphenyl)-3-(pyridin-3-yl)-1H-pyrazol-5-yl)pentanamide
CID 44440754
(S)-N-(1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-5-(1-(4-tert-butylphenyl)-5-(pyridin-4-yl)-1H-pyrazol-3-yl)pentanamide
CID 44440784
N-(2-hydroxy-5-phenylphenyl)-4-[(2-pyrazol-1-ylethylamino)methyl]benzamide
CID 59627354
5-(2-hydroxy-5-methylphenyl)-N-(pyridin-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 666109
N-[3-[[4-[3-(3-hydroxyphenyl)-1-phenylpyrazol-4-yl]-2-pyridinyl]amino]propyl]benzamide
CID 155809239

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
The IUPAC name of 4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide (CID 10208008) is 4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide is CC(C)(C)c1ccc(-n2nc(-c3ccccn3)cc2-c2ccc(C(=O)NCCc3ccc(O)cc3)cc2)cc1.
What is the InChIKey of 4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
The InChIKey is JJRPKDSOILQFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O2/c1-33(2,3)26-13-15-27(16-14-26)37-31(22-30(36-37)29-6-4-5-20-34-29)24-9-11-25(12-10-24)32(39)35-21-19-23-7-17-28(38)18-8-23/h4-18,20,22,38H,19,21H2,1-3H3,(H,35,39).
What are the key properties of 4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide?
4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide has a molecular weight of 516.65 g/mol, XLogP of 6.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-tert-butylphenyl)-3-pyridin-2-ylpyrazol-5-yl]-N-[2-(4-hydroxyphenyl)ethyl]benzamide is sourced from PubChem (CID 10208008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).