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

C28H29N3O3 — CID 138740459

IUPAC4-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol
SMILESOc1ccc(-c2cc(-c3ccc(OCCN4CCCCC4)cc3)nn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C28H29N3O3/c32-24-10-4-22(5-11-24)28-20-27(29-31(28)23-8-12-25(33)13-9-23)21-6-14-26(15-7-21)34-19-18-30-16-2-1-3-17-30/h4-15,20,32-33H,1-3,16-19H2
InChIKeyKSIJIGHGXBEURD-UHFFFAOYSA-N
MW455.56 g/mol
LogP5.48
Rot. Bonds7

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

4-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol (PubChem CID 138740459) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol
PubChem CID138740459
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC Name4-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol
SMILESOc1ccc(-c2cc(-c3ccc(OCCN4CCCCC4)cc3)nn2-c2ccc(O)cc2)cc1
InChIInChI=1S/C28H29N3O3/c32-24-10-4-22(5-11-24)28-20-27(29-31(28)23-8-12-25(33)13-9-23)21-6-14-26(15-7-21)34-19-18-30-16-2-1-3-17-30/h4-15,20,32-33H,1-3,16-19H2
InChIKeyKSIJIGHGXBEURD-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

3-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol
CID 138740945
1-[3-[4-[1,3-bis(4-methoxyphenyl)pyrazol-5-yl]phenoxy]propyl]piperidine
CID 138740460
4-[1-phenyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]benzamide
CID 138740322
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
4-[2-methyl-6-(2-piperidin-1-ylethoxy)pyrimidin-4-yl]phenol;hydrochloride
CID 135549351
4-[4-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1H-pyrazol-5-yl]phenol
CID 175208942
4-(4-fluorophenyl)-1-[4-(2-piperidin-1-ylethoxy)phenyl]pyridin-2-one
CID 53319915
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pyridine
CID 91805558
4-[3-[4-(2-piperidin-1-ylethoxy)phenyl]-5,7-bis(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]phenol
CID 135547714
2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol;hydrochloride
CID 70272731

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol (CID 138740459) is 4-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol is Oc1ccc(-c2cc(-c3ccc(OCCN4CCCCC4)cc3)nn2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol?
The InChIKey is KSIJIGHGXBEURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c32-24-10-4-22(5-11-24)28-20-27(29-31(28)23-8-12-25(33)13-9-23)21-6-14-26(15-7-21)34-19-18-30-16-2-1-3-17-30/h4-15,20,32-33H,1-3,16-19H2.
What are the key properties of 4-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol?
4-[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 4-[1-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]pyrazol-5-yl]phenol is sourced from PubChem (CID 138740459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).