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

C19H16N2O — CID 136897729

IUPAC2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
SMILESOc1ccccc1C1=NNC(c2cccc3ccccc23)C1
InChIInChI=1S/C19H16N2O/c22-19-11-4-3-9-16(19)18-12-17(20-21-18)15-10-5-7-13-6-1-2-8-14(13)15/h1-11,17,20,22H,12H2
InChIKeyCQHFSSBLGLQTLM-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.98
Rot. Bonds2

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

2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol (PubChem CID 136897729) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol.

Molecular Properties

Compound Name2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
PubChem CID136897729
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
SMILESOc1ccccc1C1=NNC(c2cccc3ccccc23)C1
InChIInChI=1S/C19H16N2O/c22-19-11-4-3-9-16(19)18-12-17(20-21-18)15-10-5-7-13-6-1-2-8-14(13)15/h1-11,17,20,22H,12H2
InChIKeyCQHFSSBLGLQTLM-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-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
The IUPAC name of 2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol (CID 136897729) is 2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol.
What is the SMILES notation for 2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
The canonical SMILES for 2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol is Oc1ccccc1C1=NNC(c2cccc3ccccc23)C1.
What is the InChIKey of 2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
The InChIKey is CQHFSSBLGLQTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c22-19-11-4-3-9-16(19)18-12-17(20-21-18)15-10-5-7-13-6-1-2-8-14(13)15/h1-11,17,20,22H,12H2.
What are the key properties of 2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol 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-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol is sourced from PubChem (CID 136897729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).