3-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol

C28H29N3O3 — CID 138740945

IUPAC3-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol
SMILESOc1ccc(-n2nc(-c3ccc(OCCN4CCCCC4)cc3)cc2-c2cccc(O)c2)cc1
InChIInChI=1S/C28H29N3O3/c32-24-11-9-23(10-12-24)31-28(22-5-4-6-25(33)19-22)20-27(29-31)21-7-13-26(14-8-21)34-18-17-30-15-2-1-3-16-30/h4-14,19-20,32-33H,1-3,15-18H2
InChIKeyZREAWHQSFZSDFO-UHFFFAOYSA-N
MW455.56 g/mol
LogP5.48
Rot. Bonds7

About 3-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol

3-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol (PubChem CID 138740945) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is 3-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol.

Molecular Properties

Compound Name3-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol
PubChem CID138740945
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC Name3-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol
SMILESOc1ccc(-n2nc(-c3ccc(OCCN4CCCCC4)cc3)cc2-c2cccc(O)c2)cc1
InChIInChI=1S/C28H29N3O3/c32-24-11-9-23(10-12-24)31-28(22-5-4-6-25(33)19-22)20-27(29-31)21-7-13-26(14-8-21)34-18-17-30-15-2-1-3-16-30/h4-14,19-20,32-33H,1-3,15-18H2
InChIKeyZREAWHQSFZSDFO-UHFFFAOYSA-N
XLogP5.48
TPSA70.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol
CID 138740459
4-[1-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]benzamide
CID 138740322
1-[3-[4-[1,3-bis(4-methoxyphenyl)pyrazol-5-yl]phenoxy]propyl]piperidine
CID 138740460
7-hydroxy-3-(4-hydroxyphenyl)-2-[4-(2-piperidin-1-ylethoxy)phenyl]isoquinolin-1-one
CID 90676193
4-[4-ethyl-3-(4-hydroxyphenyl)-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol
CID 138740429
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
2-[5-(3-hydroxyphenyl)-1-phenylpyrazol-3-yl]phenol
CID 135497208
2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 91805558
4-[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]phenol;hydrochloride
CID 135549351
(4-hydroxyphenyl)-[4-methyl-3-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-1-yl]methanone
CID 175108845
4-[4-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrazol-5-yl]phenol
CID 175208942
4-(4-hydroxyphenyl)-3-phenyl-7-(2-piperidin-1-ylethoxy)chromen-2-one
CID 71818110

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol?
The IUPAC name of 3-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol (CID 138740945) is 3-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol.
What is the SMILES notation for 3-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol?
The canonical SMILES for 3-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol is Oc1ccc(-n2nc(-c3ccc(OCCN4CCCCC4)cc3)cc2-c2cccc(O)c2)cc1.
What is the InChIKey of 3-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol?
The InChIKey is ZREAWHQSFZSDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c32-24-11-9-23(10-12-24)31-28(22-5-4-6-25(33)19-22)20-27(29-31)21-7-13-26(14-8-21)34-18-17-30-15-2-1-3-16-30/h4-14,19-20,32-33H,1-3,15-18H2.
What are the key properties of 3-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol?
3-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol has a molecular weight of 455.56 g/mol, XLogP of 5.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol is sourced from PubChem (CID 138740945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).