6-(3-methoxyphenyl)-3-methyl-1-phenylselenopyrano[3,2-d]pyrazol-4-one

C20H16N2O2Se — CID 156903960

IUPAC6-(3-methoxyphenyl)-3-methyl-1-phenylselenopyrano[3,2-d]pyrazol-4-one
SMILESCOc1cccc(-c2cc(=O)c3c(C)nn(-c4ccccc4)c3[se]2)c1
InChIInChI=1S/C20H16N2O2Se/c1-13-19-17(23)12-18(14-7-6-10-16(11-14)24-2)25-20(19)22(21-13)15-8-4-3-5-9-15/h3-12H,1-2H3
InChIKeyFUVNOLGIJKNAIX-UHFFFAOYSA-N
MW395.32 g/mol
LogP3.43
Rot. Bonds3

About 6-(3-methoxyphenyl)-3-methyl-1-phenylselenopyrano[3,2-d]pyrazol-4-one

6-(3-methoxyphenyl)-3-methyl-1-phenylselenopyrano[3,2-d]pyrazol-4-one (PubChem CID 156903960) has the molecular formula C20H16N2O2Se and a molecular weight of 395.32 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-3-methyl-1-phenylselenopyrano[3,2-d]pyrazol-4-one.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-3-methyl-1-phenylselenopyrano[3,2-d]pyrazol-4-one
PubChem CID156903960
Molecular FormulaC20H16N2O2Se
Molecular Weight395.32 g/mol
Exact Mass396.04
IUPAC Name6-(3-methoxyphenyl)-3-methyl-1-phenylselenopyrano[3,2-d]pyrazol-4-one
SMILESCOc1cccc(-c2cc(=O)c3c(C)nn(-c4ccccc4)c3[se]2)c1
InChIInChI=1S/C20H16N2O2Se/c1-13-19-17(23)12-18(14-7-6-10-16(11-14)24-2)25-20(19)22(21-13)15-8-4-3-5-9-15/h3-12H,1-2H3
InChIKeyFUVNOLGIJKNAIX-UHFFFAOYSA-N
XLogP3.43
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.32
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-3-methyl-1-phenylselenopyrano[3,2-d]pyrazol-4-one?
The IUPAC name of 6-(3-methoxyphenyl)-3-methyl-1-phenylselenopyrano[3,2-d]pyrazol-4-one (CID 156903960) is 6-(3-methoxyphenyl)-3-methyl-1-phenylselenopyrano[3,2-d]pyrazol-4-one.
What is the SMILES notation for 6-(3-methoxyphenyl)-3-methyl-1-phenylselenopyrano[3,2-d]pyrazol-4-one?
The canonical SMILES for 6-(3-methoxyphenyl)-3-methyl-1-phenylselenopyrano[3,2-d]pyrazol-4-one is COc1cccc(-c2cc(=O)c3c(C)nn(-c4ccccc4)c3[se]2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-3-methyl-1-phenylselenopyrano[3,2-d]pyrazol-4-one?
The InChIKey is FUVNOLGIJKNAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2Se/c1-13-19-17(23)12-18(14-7-6-10-16(11-14)24-2)25-20(19)22(21-13)15-8-4-3-5-9-15/h3-12H,1-2H3.
What are the key properties of 6-(3-methoxyphenyl)-3-methyl-1-phenylselenopyrano[3,2-d]pyrazol-4-one?
6-(3-methoxyphenyl)-3-methyl-1-phenylselenopyrano[3,2-d]pyrazol-4-one has a molecular weight of 395.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-3-methyl-1-phenylselenopyrano[3,2-d]pyrazol-4-one is sourced from PubChem (CID 156903960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).