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

C20H18N2O2 — CID 142742278

IUPAC3-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
SMILESCOc1cccc(O)c1C1=NNC(c2cccc3ccccc23)C1
InChIInChI=1S/C20H18N2O2/c1-24-19-11-5-10-18(23)20(19)17-12-16(21-22-17)15-9-4-7-13-6-2-3-8-14(13)15/h2-11,16,21,23H,12H2,1H3
InChIKeyJYINPCJLIYMMEK-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.99
Rot. Bonds3

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

3-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol (PubChem CID 142742278) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol.

Molecular Properties

Compound Name3-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
PubChem CID142742278
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name3-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
SMILESCOc1cccc(O)c1C1=NNC(c2cccc3ccccc23)C1
InChIInChI=1S/C20H18N2O2/c1-24-19-11-5-10-18(23)20(19)17-12-16(21-22-17)15-9-4-7-13-6-2-3-8-14(13)15/h2-11,16,21,23H,12H2,1H3
InChIKeyJYINPCJLIYMMEK-UHFFFAOYSA-N
XLogP3.99
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Anthracen-9-yl-5-(4-methoxy-phenyl)-4,5-dihydro-1hpyrazole
CID 53248722
Egr-1-IN-2
CID 136239519
2-[5-(2,4,5-trimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol
CID 136239521
1-[5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol
CID 136244528
1-[5-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol
CID 136244614
2-[5-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol
CID 136244615
2-[5-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol
CID 136254385
1-[5-(3,5-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-2-ol
CID 136254470
4-(3-anthracen-9-yl-4,5-dihydro-1H-pyrazol-5-yl)benzene-1,3-diol
CID 54580119
(5S)-3-anthracen-9-yl-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazole
CID 71718545
4-[(5S)-3-anthracen-9-yl-4,5-dihydro-1H-pyrazol-5-yl]benzene-1,3-diol
CID 71719147
2-(5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl)naphthalen-1-ol
CID 2905315

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
The IUPAC name of 3-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol (CID 142742278) is 3-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol.
What is the SMILES notation for 3-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
The canonical SMILES for 3-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol is COc1cccc(O)c1C1=NNC(c2cccc3ccccc23)C1.
What is the InChIKey of 3-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
The InChIKey is JYINPCJLIYMMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-24-19-11-5-10-18(23)20(19)17-12-16(21-22-17)15-9-4-7-13-6-2-3-8-14(13)15/h2-11,16,21,23H,12H2,1H3.
What are the key properties of 3-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
3-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol has a molecular weight of 318.38 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol is sourced from PubChem (CID 142742278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).