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

C20H18N2O2 — CID 142742266

IUPAC4-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
SMILESCOc1ccc(O)c(C2=NNC(c3cccc4ccccc34)C2)c1
InChIInChI=1S/C20H18N2O2/c1-24-14-9-10-20(23)17(11-14)19-12-18(21-22-19)16-8-4-6-13-5-2-3-7-15(13)16/h2-11,18,21,23H,12H2,1H3
InChIKeyKINGKRRSVZBRTQ-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.99
Rot. Bonds3

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

4-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol (PubChem CID 142742266) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol.

Molecular Properties

Compound Name4-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
PubChem CID142742266
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name4-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
SMILESCOc1ccc(O)c(C2=NNC(c3cccc4ccccc34)C2)c1
InChIInChI=1S/C20H18N2O2/c1-24-14-9-10-20(23)17(11-14)19-12-18(21-22-19)16-8-4-6-13-5-2-3-7-15(13)16/h2-11,18,21,23H,12H2,1H3
InChIKeyKINGKRRSVZBRTQ-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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
The IUPAC name of 4-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol (CID 142742266) is 4-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol.
What is the SMILES notation for 4-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
The canonical SMILES for 4-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol is COc1ccc(O)c(C2=NNC(c3cccc4ccccc34)C2)c1.
What is the InChIKey of 4-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
The InChIKey is KINGKRRSVZBRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-24-14-9-10-20(23)17(11-14)19-12-18(21-22-19)16-8-4-6-13-5-2-3-7-15(13)16/h2-11,18,21,23H,12H2,1H3.
What are the key properties of 4-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol?
4-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 4-methoxy-2-(5-naphthalen-1-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol is sourced from PubChem (CID 142742266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).