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

C19H16N2O — CID 3417195

IUPAC2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)naphthalen-1-ol
SMILESOc1c(C2=NNC(c3ccccc3)C2)ccc2ccccc12
InChIInChI=1S/C19H16N2O/c22-19-15-9-5-4-6-13(15)10-11-16(19)18-12-17(20-21-18)14-7-2-1-3-8-14/h1-11,17,20,22H,12H2
InChIKeyHEUUZURKTYOCHE-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.98
Rot. Bonds2

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

2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)naphthalen-1-ol (PubChem CID 3417195) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)naphthalen-1-ol.

Molecular Properties

Compound Name2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)naphthalen-1-ol
PubChem CID3417195
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)naphthalen-1-ol
SMILESOc1c(C2=NNC(c3ccccc3)C2)ccc2ccccc12
InChIInChI=1S/C19H16N2O/c22-19-15-9-5-4-6-13(15)10-11-16(19)18-12-17(20-21-18)14-7-2-1-3-8-14/h1-11,17,20,22H,12H2
InChIKeyHEUUZURKTYOCHE-UHFFFAOYSA-N
XLogP3.98
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.98
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)naphthalen-1-ol?
The IUPAC name of 2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)naphthalen-1-ol (CID 3417195) is 2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)naphthalen-1-ol.
What is the SMILES notation for 2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)naphthalen-1-ol?
The canonical SMILES for 2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)naphthalen-1-ol is Oc1c(C2=NNC(c3ccccc3)C2)ccc2ccccc12.
What is the InChIKey of 2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)naphthalen-1-ol?
The InChIKey is HEUUZURKTYOCHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c22-19-15-9-5-4-6-13(15)10-11-16(19)18-12-17(20-21-18)14-7-2-1-3-8-14/h1-11,17,20,22H,12H2.
What are the key properties of 2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)naphthalen-1-ol?
2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)naphthalen-1-ol has a molecular weight of 288.35 g/mol, XLogP of 3.98, 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)naphthalen-1-ol is sourced from PubChem (CID 3417195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).