[5-(1-hydroxynaphthalen-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone

C26H20N2O2 — CID 4567142

IUPAC[5-(1-hydroxynaphthalen-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2ccc3ccccc3c2O)CC1c1ccccc1
InChIInChI=1S/C26H20N2O2/c29-25-21-14-8-7-9-18(21)15-16-22(25)23-17-24(19-10-3-1-4-11-19)28(27-23)26(30)20-12-5-2-6-13-20/h1-16,24,29H,17H2
InChIKeyOLGFMJSXJNPSHX-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.54
Rot. Bonds3

About [5-(1-hydroxynaphthalen-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone

[5-(1-hydroxynaphthalen-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone (PubChem CID 4567142) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is [5-(1-hydroxynaphthalen-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(1-hydroxynaphthalen-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
PubChem CID4567142
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC Name[5-(1-hydroxynaphthalen-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2ccc3ccccc3c2O)CC1c1ccccc1
InChIInChI=1S/C26H20N2O2/c29-25-21-14-8-7-9-18(21)15-16-22(25)23-17-24(19-10-3-1-4-11-19)28(27-23)26(30)20-12-5-2-6-13-20/h1-16,24,29H,17H2
InChIKeyOLGFMJSXJNPSHX-UHFFFAOYSA-N
XLogP5.54
TPSA52.90 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.54
H-Bond Donors ≤ 51
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 [5-(1-hydroxynaphthalen-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The IUPAC name of [5-(1-hydroxynaphthalen-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone (CID 4567142) is [5-(1-hydroxynaphthalen-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone.
What is the SMILES notation for [5-(1-hydroxynaphthalen-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The canonical SMILES for [5-(1-hydroxynaphthalen-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone is O=C(c1ccccc1)N1N=C(c2ccc3ccccc3c2O)CC1c1ccccc1.
What is the InChIKey of [5-(1-hydroxynaphthalen-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The InChIKey is OLGFMJSXJNPSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c29-25-21-14-8-7-9-18(21)15-16-22(25)23-17-24(19-10-3-1-4-11-19)28(27-23)26(30)20-12-5-2-6-13-20/h1-16,24,29H,17H2.
What are the key properties of [5-(1-hydroxynaphthalen-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
[5-(1-hydroxynaphthalen-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone has a molecular weight of 392.46 g/mol, XLogP of 5.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-hydroxynaphthalen-2-yl)-3-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone is sourced from PubChem (CID 4567142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).