2-(1-benzyl-3-phenylpyrazol-5-yl)phenol

C22H18N2O — CID 2380220

IUPAC2-(1-benzyl-3-phenylpyrazol-5-yl)phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)nn1Cc1ccccc1
InChIInChI=1S/C22H18N2O/c25-22-14-8-7-13-19(22)21-15-20(18-11-5-2-6-12-18)23-24(21)16-17-9-3-1-4-10-17/h1-15,25H,16H2
InChIKeyOQEZXEZQIHOSJE-UHFFFAOYSA-N
MW326.40 g/mol
LogP4.97
Rot. Bonds4

About 2-(1-benzyl-3-phenylpyrazol-5-yl)phenol

2-(1-benzyl-3-phenylpyrazol-5-yl)phenol (PubChem CID 2380220) has the molecular formula C22H18N2O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-(1-benzyl-3-phenylpyrazol-5-yl)phenol.

Molecular Properties

Compound Name2-(1-benzyl-3-phenylpyrazol-5-yl)phenol
PubChem CID2380220
Molecular FormulaC22H18N2O
Molecular Weight326.40 g/mol
Exact Mass326.14
IUPAC Name2-(1-benzyl-3-phenylpyrazol-5-yl)phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)nn1Cc1ccccc1
InChIInChI=1S/C22H18N2O/c25-22-14-8-7-13-19(22)21-15-20(18-11-5-2-6-12-18)23-24(21)16-17-9-3-1-4-10-17/h1-15,25H,16H2
InChIKeyOQEZXEZQIHOSJE-UHFFFAOYSA-N
XLogP4.97
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3-phenylpyrazol-5-yl)phenol?
The IUPAC name of 2-(1-benzyl-3-phenylpyrazol-5-yl)phenol (CID 2380220) is 2-(1-benzyl-3-phenylpyrazol-5-yl)phenol.
What is the SMILES notation for 2-(1-benzyl-3-phenylpyrazol-5-yl)phenol?
The canonical SMILES for 2-(1-benzyl-3-phenylpyrazol-5-yl)phenol is Oc1ccccc1-c1cc(-c2ccccc2)nn1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-3-phenylpyrazol-5-yl)phenol?
The InChIKey is OQEZXEZQIHOSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O/c25-22-14-8-7-13-19(22)21-15-20(18-11-5-2-6-12-18)23-24(21)16-17-9-3-1-4-10-17/h1-15,25H,16H2.
What are the key properties of 2-(1-benzyl-3-phenylpyrazol-5-yl)phenol?
2-(1-benzyl-3-phenylpyrazol-5-yl)phenol has a molecular weight of 326.40 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3-phenylpyrazol-5-yl)phenol is sourced from PubChem (CID 2380220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).