2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol

C15H14N2O — CID 3830634

IUPAC2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
SMILESOc1ccccc1C1=NNC(c2ccccc2)C1
InChIInChI=1S/C15H14N2O/c18-15-9-5-4-8-12(15)14-10-13(16-17-14)11-6-2-1-3-7-11/h1-9,13,16,18H,10H2
InChIKeyDEVPCIVVKIDHMZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.83
Rot. Bonds2

About 2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol

2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol (PubChem CID 3830634) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol.

Molecular Properties

Compound Name2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
PubChem CID3830634
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
SMILESOc1ccccc1C1=NNC(c2ccccc2)C1
InChIInChI=1S/C15H14N2O/c18-15-9-5-4-8-12(15)14-10-13(16-17-14)11-6-2-1-3-7-11/h1-9,13,16,18H,10H2
InChIKeyDEVPCIVVKIDHMZ-UHFFFAOYSA-N
XLogP2.83
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
The IUPAC name of 2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol (CID 3830634) is 2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol.
What is the SMILES notation for 2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
The canonical SMILES for 2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol is Oc1ccccc1C1=NNC(c2ccccc2)C1.
What is the InChIKey of 2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
The InChIKey is DEVPCIVVKIDHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c18-15-9-5-4-8-12(15)14-10-13(16-17-14)11-6-2-1-3-7-11/h1-9,13,16,18H,10H2.
What are the key properties of 2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol has a molecular weight of 238.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol is sourced from PubChem (CID 3830634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).