2-(1,3-diphenylpyrazol-5-yl)phenol

C21H16N2O — CID 135604712

IUPAC2-(1,3-diphenylpyrazol-5-yl)phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C21H16N2O/c24-21-14-8-7-13-18(21)20-15-19(16-9-3-1-4-10-16)22-23(20)17-11-5-2-6-12-17/h1-15,24H
InChIKeyQNKVYDAEYOSHLV-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.91
Rot. Bonds3

About 2-(1,3-diphenylpyrazol-5-yl)phenol

2-(1,3-diphenylpyrazol-5-yl)phenol (PubChem CID 135604712) has the molecular formula C21H16N2O and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-(1,3-diphenylpyrazol-5-yl)phenol.

Molecular Properties

Compound Name2-(1,3-diphenylpyrazol-5-yl)phenol
PubChem CID135604712
Molecular FormulaC21H16N2O
Molecular Weight312.37 g/mol
Exact Mass312.13
IUPAC Name2-(1,3-diphenylpyrazol-5-yl)phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C21H16N2O/c24-21-14-8-7-13-18(21)20-15-19(16-9-3-1-4-10-16)22-23(20)17-11-5-2-6-12-17/h1-15,24H
InChIKeyQNKVYDAEYOSHLV-UHFFFAOYSA-N
XLogP4.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-diphenylpyrazol-5-yl)phenol?
The IUPAC name of 2-(1,3-diphenylpyrazol-5-yl)phenol (CID 135604712) is 2-(1,3-diphenylpyrazol-5-yl)phenol.
What is the SMILES notation for 2-(1,3-diphenylpyrazol-5-yl)phenol?
The canonical SMILES for 2-(1,3-diphenylpyrazol-5-yl)phenol is Oc1ccccc1-c1cc(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 2-(1,3-diphenylpyrazol-5-yl)phenol?
The InChIKey is QNKVYDAEYOSHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O/c24-21-14-8-7-13-18(21)20-15-19(16-9-3-1-4-10-16)22-23(20)17-11-5-2-6-12-17/h1-15,24H.
What are the key properties of 2-(1,3-diphenylpyrazol-5-yl)phenol?
2-(1,3-diphenylpyrazol-5-yl)phenol has a molecular weight of 312.37 g/mol, XLogP of 4.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diphenylpyrazol-5-yl)phenol is sourced from PubChem (CID 135604712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).