2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol

C20H18N2O2 — CID 2905315

IUPAC2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol
SMILESCOc1ccc(C2CC(c3ccc4ccccc4c3O)=NN2)cc1
InChIInChI=1S/C20H18N2O2/c1-24-15-9-6-14(7-10-15)18-12-19(22-21-18)17-11-8-13-4-2-3-5-16(13)20(17)23/h2-11,18,21,23H,12H2,1H3
InChIKeyQEWVCFBPRUAMAL-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.99
Rot. Bonds3

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

2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol (PubChem CID 2905315) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol
PubChem CID2905315
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol
SMILESCOc1ccc(C2CC(c3ccc4ccccc4c3O)=NN2)cc1
InChIInChI=1S/C20H18N2O2/c1-24-15-9-6-14(7-10-15)18-12-19(22-21-18)17-11-8-13-4-2-3-5-16(13)20(17)23/h2-11,18,21,23H,12H2,1H3
InChIKeyQEWVCFBPRUAMAL-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 2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol?
The IUPAC name of 2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol (CID 2905315) is 2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol.
What is the SMILES notation for 2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol?
The canonical SMILES for 2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol is COc1ccc(C2CC(c3ccc4ccccc4c3O)=NN2)cc1.
What is the InChIKey of 2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol?
The InChIKey is QEWVCFBPRUAMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-24-15-9-6-14(7-10-15)18-12-19(22-21-18)17-11-8-13-4-2-3-5-16(13)20(17)23/h2-11,18,21,23H,12H2,1H3.
What are the key properties of 2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol?
2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol 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 2-[5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]naphthalen-1-ol is sourced from PubChem (CID 2905315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).