5-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-4-phenylpyrazol-3-one

C25H20N2O3 — CID 68618244

IUPAC5-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-4-phenylpyrazol-3-one
SMILESCOc1ccc(C2=C(c3ccccc3)C(=O)N=N2)cc1OC1Cc2ccccc2C1
InChIInChI=1S/C25H20N2O3/c1-29-21-12-11-19(24-23(25(28)27-26-24)16-7-3-2-4-8-16)15-22(21)30-20-13-17-9-5-6-10-18(17)14-20/h2-12,15,20H,13-14H2,1H3
InChIKeyUMAFGAYUPAFRCM-UHFFFAOYSA-N
MW396.45 g/mol
LogP5.10
Rot. Bonds5

About 5-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-4-phenylpyrazol-3-one

5-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-4-phenylpyrazol-3-one (PubChem CID 68618244) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 5-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-4-phenylpyrazol-3-one.

Molecular Properties

Compound Name5-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-4-phenylpyrazol-3-one
PubChem CID68618244
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC Name5-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-4-phenylpyrazol-3-one
SMILESCOc1ccc(C2=C(c3ccccc3)C(=O)N=N2)cc1OC1Cc2ccccc2C1
InChIInChI=1S/C25H20N2O3/c1-29-21-12-11-19(24-23(25(28)27-26-24)16-7-3-2-4-8-16)15-22(21)30-20-13-17-9-5-6-10-18(17)14-20/h2-12,15,20H,13-14H2,1H3
InChIKeyUMAFGAYUPAFRCM-UHFFFAOYSA-N
XLogP5.10
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-4-phenylpyrazol-3-one?
The IUPAC name of 5-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-4-phenylpyrazol-3-one (CID 68618244) is 5-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-4-phenylpyrazol-3-one.
What is the SMILES notation for 5-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-4-phenylpyrazol-3-one?
The canonical SMILES for 5-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-4-phenylpyrazol-3-one is COc1ccc(C2=C(c3ccccc3)C(=O)N=N2)cc1OC1Cc2ccccc2C1.
What is the InChIKey of 5-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-4-phenylpyrazol-3-one?
The InChIKey is UMAFGAYUPAFRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N2O3/c1-29-21-12-11-19(24-23(25(28)27-26-24)16-7-3-2-4-8-16)15-22(21)30-20-13-17-9-5-6-10-18(17)14-20/h2-12,15,20H,13-14H2,1H3.
What are the key properties of 5-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-4-phenylpyrazol-3-one?
5-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-4-phenylpyrazol-3-one has a molecular weight of 396.45 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,3-dihydro-1H-inden-2-yloxy)-4-methoxyphenyl]-4-phenylpyrazol-3-one is sourced from PubChem (CID 68618244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).