2-[bis(3-phenylpyrazol-1-yl)methyl]phenol

C25H20N4O — CID 46918447

IUPAC2-[bis(3-phenylpyrazol-1-yl)methyl]phenol
SMILESOc1ccccc1C(n1ccc(-c2ccccc2)n1)n1ccc(-c2ccccc2)n1
InChIInChI=1S/C25H20N4O/c30-24-14-8-7-13-21(24)25(28-17-15-22(26-28)19-9-3-1-4-10-19)29-18-16-23(27-29)20-11-5-2-6-12-20/h1-18,25,30H
InChIKeyTZUGSOISICVBSZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.21
Rot. Bonds5

About 2-[bis(3-phenylpyrazol-1-yl)methyl]phenol

2-[bis(3-phenylpyrazol-1-yl)methyl]phenol (PubChem CID 46918447) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[bis(3-phenylpyrazol-1-yl)methyl]phenol.

Molecular Properties

Compound Name2-[bis(3-phenylpyrazol-1-yl)methyl]phenol
PubChem CID46918447
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name2-[bis(3-phenylpyrazol-1-yl)methyl]phenol
SMILESOc1ccccc1C(n1ccc(-c2ccccc2)n1)n1ccc(-c2ccccc2)n1
InChIInChI=1S/C25H20N4O/c30-24-14-8-7-13-21(24)25(28-17-15-22(26-28)19-9-3-1-4-10-19)29-18-16-23(27-29)20-11-5-2-6-12-20/h1-18,25,30H
InChIKeyTZUGSOISICVBSZ-UHFFFAOYSA-N
XLogP5.21
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[bis(3-phenylpyrazol-1-yl)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[bis(3-phenylpyrazol-1-yl)methyl]phenol?
The IUPAC name of 2-[bis(3-phenylpyrazol-1-yl)methyl]phenol (CID 46918447) is 2-[bis(3-phenylpyrazol-1-yl)methyl]phenol.
What is the SMILES notation for 2-[bis(3-phenylpyrazol-1-yl)methyl]phenol?
The canonical SMILES for 2-[bis(3-phenylpyrazol-1-yl)methyl]phenol is Oc1ccccc1C(n1ccc(-c2ccccc2)n1)n1ccc(-c2ccccc2)n1.
What is the InChIKey of 2-[bis(3-phenylpyrazol-1-yl)methyl]phenol?
The InChIKey is TZUGSOISICVBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c30-24-14-8-7-13-21(24)25(28-17-15-22(26-28)19-9-3-1-4-10-19)29-18-16-23(27-29)20-11-5-2-6-12-20/h1-18,25,30H.
What are the key properties of 2-[bis(3-phenylpyrazol-1-yl)methyl]phenol?
2-[bis(3-phenylpyrazol-1-yl)methyl]phenol has a molecular weight of 392.46 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(3-phenylpyrazol-1-yl)methyl]phenol is sourced from PubChem (CID 46918447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).