4-[[4-hydroxy-3-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol

C33H32N4O2 — CID 53248952

About 4-[[4-hydroxy-3-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol

4-[[4-hydroxy-3-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol (PubChem CID 53248952) has the molecular formula C33H32N4O2 and a molecular weight of 516.65 g/mol. Its IUPAC name is 4-[[4-hydroxy-3-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol.

Molecular Properties

• Compound Name: 4-[[4-hydroxy-3-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
• PubChem CID: 53248952
• Molecular Formula: C33H32N4O2
• Molecular Weight: 516.65 g/mol
• Exact Mass: 516.25
• IUPAC Name: 4-[[4-hydroxy-3-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
• SMILES: Cc1ccc(C2=NNC(c3cc(Cc4ccc(O)c(C5CC(c6ccc(C)cc6)=NN5)c4)ccc3O)C2)cc1
• InChI: InChI=1S/C33H32N4O2/c1-20-3-9-24(10-4-20)28-18-30(36-34-28)26-16-22(7-13-32(26)38)15-23-8-14-33(39)27(17-23)31-19-29(35-37-31)25-11-5-21(2)6-12-25/h3-14,16-17,30-31,36-39H,15,18-19H2,1-2H3
• InChIKey: DJXTZOPWHVAQFS-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 89.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.65
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[4-hydroxy-3-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?

The IUPAC name of 4-[[4-hydroxy-3-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol (CID 53248952) is 4-[[4-hydroxy-3-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol.

What is the SMILES notation for 4-[[4-hydroxy-3-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?

The canonical SMILES for 4-[[4-hydroxy-3-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol is Cc1ccc(C2=NNC(c3cc(Cc4ccc(O)c(C5CC(c6ccc(C)cc6)=NN5)c4)ccc3O)C2)cc1.

What is the InChIKey of 4-[[4-hydroxy-3-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?

The InChIKey is DJXTZOPWHVAQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O2/c1-20-3-9-24(10-4-20)28-18-30(36-34-28)26-16-22(7-13-32(26)38)15-23-8-14-33(39)27(17-23)31-19-29(35-37-31)25-11-5-21(2)6-12-25/h3-14,16-17,30-31,36-39H,15,18-19H2,1-2H3.

What are the key properties of 4-[[4-hydroxy-3-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol?

4-[[4-hydroxy-3-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol has a molecular weight of 516.65 g/mol, XLogP of 6.18, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-hydroxy-3-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenyl]methyl]-2-[3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 53248952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).