4-[1-(4-hydroxyphenyl)-4-methyl-5-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazol-3-yl]phenol

C30H33N3O2 — CID 135857091

IUPAC4-[1-(4-hydroxyphenyl)-4-methyl-5-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazol-3-yl]phenol
SMILESCc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(CCCN2CCCCC2)cc1
InChIInChI=1S/C30H33N3O2/c1-22-29(24-11-15-27(34)16-12-24)31-33(26-13-17-28(35)18-14-26)30(22)25-9-7-23(8-10-25)6-5-21-32-19-3-2-4-20-32/h7-18,34-35H,2-6,19-21H2,1H3
InChIKeyXXRGLZUCVWZDBP-UHFFFAOYSA-N
MW467.61 g/mol
LogP6.34
Rot. Bonds7

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

4-[1-(4-hydroxyphenyl)-4-methyl-5-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazol-3-yl]phenol (PubChem CID 135857091) has the molecular formula C30H33N3O2 and a molecular weight of 467.61 g/mol. Its IUPAC name is 4-[1-(4-hydroxyphenyl)-4-methyl-5-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-[1-(4-hydroxyphenyl)-4-methyl-5-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazol-3-yl]phenol
PubChem CID135857091
Molecular FormulaC30H33N3O2
Molecular Weight467.61 g/mol
Exact Mass467.26
IUPAC Name4-[1-(4-hydroxyphenyl)-4-methyl-5-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazol-3-yl]phenol
SMILESCc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(CCCN2CCCCC2)cc1
InChIInChI=1S/C30H33N3O2/c1-22-29(24-11-15-27(34)16-12-24)31-33(26-13-17-28(35)18-14-26)30(22)25-9-7-23(8-10-25)6-5-21-32-19-3-2-4-20-32/h7-18,34-35H,2-6,19-21H2,1H3
InChIKeyXXRGLZUCVWZDBP-UHFFFAOYSA-N
XLogP6.34
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.61
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxyphenyl)-4-methyl-5-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazol-3-yl]phenol?
The IUPAC name of 4-[1-(4-hydroxyphenyl)-4-methyl-5-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazol-3-yl]phenol (CID 135857091) is 4-[1-(4-hydroxyphenyl)-4-methyl-5-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazol-3-yl]phenol.
What is the SMILES notation for 4-[1-(4-hydroxyphenyl)-4-methyl-5-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazol-3-yl]phenol?
The canonical SMILES for 4-[1-(4-hydroxyphenyl)-4-methyl-5-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazol-3-yl]phenol is Cc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(CCCN2CCCCC2)cc1.
What is the InChIKey of 4-[1-(4-hydroxyphenyl)-4-methyl-5-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazol-3-yl]phenol?
The InChIKey is XXRGLZUCVWZDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O2/c1-22-29(24-11-15-27(34)16-12-24)31-33(26-13-17-28(35)18-14-26)30(22)25-9-7-23(8-10-25)6-5-21-32-19-3-2-4-20-32/h7-18,34-35H,2-6,19-21H2,1H3.
What are the key properties of 4-[1-(4-hydroxyphenyl)-4-methyl-5-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazol-3-yl]phenol?
4-[1-(4-hydroxyphenyl)-4-methyl-5-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazol-3-yl]phenol has a molecular weight of 467.61 g/mol, XLogP of 6.34, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxyphenyl)-4-methyl-5-[4-(3-piperidin-1-ylpropyl)phenyl]pyrazol-3-yl]phenol is sourced from PubChem (CID 135857091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).