2-(3-phenyl-1H-pyrazol-5-yl)phenol

C15H12N2O — CID 781202

IUPAC2-(3-phenyl-1H-pyrazol-5-yl)phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H12N2O/c18-15-9-5-4-8-12(15)14-10-13(16-17-14)11-6-2-1-3-7-11/h1-10,18H,(H,16,17)
InChIKeyCKBNRZCPFRLDPR-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.45
Rot. Bonds2

About 2-(3-phenyl-1H-pyrazol-5-yl)phenol

2-(3-phenyl-1H-pyrazol-5-yl)phenol (PubChem CID 781202) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(3-phenyl-1H-pyrazol-5-yl)phenol.

Molecular Properties

Compound Name2-(3-phenyl-1H-pyrazol-5-yl)phenol
PubChem CID781202
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name2-(3-phenyl-1H-pyrazol-5-yl)phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H12N2O/c18-15-9-5-4-8-12(15)14-10-13(16-17-14)11-6-2-1-3-7-11/h1-10,18H,(H,16,17)
InChIKeyCKBNRZCPFRLDPR-UHFFFAOYSA-N
XLogP3.45
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-phenyl-1H-pyrazol-5-yl)phenol?
The IUPAC name of 2-(3-phenyl-1H-pyrazol-5-yl)phenol (CID 781202) is 2-(3-phenyl-1H-pyrazol-5-yl)phenol.
What is the SMILES notation for 2-(3-phenyl-1H-pyrazol-5-yl)phenol?
The canonical SMILES for 2-(3-phenyl-1H-pyrazol-5-yl)phenol is Oc1ccccc1-c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 2-(3-phenyl-1H-pyrazol-5-yl)phenol?
The InChIKey is CKBNRZCPFRLDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c18-15-9-5-4-8-12(15)14-10-13(16-17-14)11-6-2-1-3-7-11/h1-10,18H,(H,16,17).
What are the key properties of 2-(3-phenyl-1H-pyrazol-5-yl)phenol?
2-(3-phenyl-1H-pyrazol-5-yl)phenol has a molecular weight of 236.27 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenyl-1H-pyrazol-5-yl)phenol is sourced from PubChem (CID 781202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).