methyl 5-[1-(4-fluorophenyl)selenopheno[3,2-c]pyrazol-3-yl]furan-2-carboxylate

C17H11FN2O3Se — CID 87226290

IUPACmethyl 5-[1-(4-fluorophenyl)selenopheno[3,2-c]pyrazol-3-yl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2nn(-c3ccc(F)cc3)c3cc[se]c23)o1
InChIInChI=1S/C17H11FN2O3Se/c1-22-17(21)14-7-6-13(23-14)15-16-12(8-9-24-16)20(19-15)11-4-2-10(18)3-5-11/h2-9H,1H3
InChIKeyJSTSKLSAUZXRMI-UHFFFAOYSA-N
MW389.24 g/mol
LogP3.27
Rot. Bonds3

About methyl 5-[1-(4-fluorophenyl)selenopheno[3,2-c]pyrazol-3-yl]furan-2-carboxylate

methyl 5-[1-(4-fluorophenyl)selenopheno[3,2-c]pyrazol-3-yl]furan-2-carboxylate (PubChem CID 87226290) has the molecular formula C17H11FN2O3Se and a molecular weight of 389.24 g/mol. Its IUPAC name is methyl 5-[1-(4-fluorophenyl)selenopheno[3,2-c]pyrazol-3-yl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-(4-fluorophenyl)selenopheno[3,2-c]pyrazol-3-yl]furan-2-carboxylate
PubChem CID87226290
Molecular FormulaC17H11FN2O3Se
Molecular Weight389.24 g/mol
Exact Mass389.99
IUPAC Namemethyl 5-[1-(4-fluorophenyl)selenopheno[3,2-c]pyrazol-3-yl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2nn(-c3ccc(F)cc3)c3cc[se]c23)o1
InChIInChI=1S/C17H11FN2O3Se/c1-22-17(21)14-7-6-13(23-14)15-16-12(8-9-24-16)20(19-15)11-4-2-10(18)3-5-11/h2-9H,1H3
InChIKeyJSTSKLSAUZXRMI-UHFFFAOYSA-N
XLogP3.27
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 methyl 5-[1-(4-fluorophenyl)selenopheno[3,2-c]pyrazol-3-yl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-(4-fluorophenyl)selenopheno[3,2-c]pyrazol-3-yl]furan-2-carboxylate (CID 87226290) is methyl 5-[1-(4-fluorophenyl)selenopheno[3,2-c]pyrazol-3-yl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-(4-fluorophenyl)selenopheno[3,2-c]pyrazol-3-yl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-(4-fluorophenyl)selenopheno[3,2-c]pyrazol-3-yl]furan-2-carboxylate is COC(=O)c1ccc(-c2nn(-c3ccc(F)cc3)c3cc[se]c23)o1.
What is the InChIKey of methyl 5-[1-(4-fluorophenyl)selenopheno[3,2-c]pyrazol-3-yl]furan-2-carboxylate?
The InChIKey is JSTSKLSAUZXRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2O3Se/c1-22-17(21)14-7-6-13(23-14)15-16-12(8-9-24-16)20(19-15)11-4-2-10(18)3-5-11/h2-9H,1H3.
What are the key properties of methyl 5-[1-(4-fluorophenyl)selenopheno[3,2-c]pyrazol-3-yl]furan-2-carboxylate?
methyl 5-[1-(4-fluorophenyl)selenopheno[3,2-c]pyrazol-3-yl]furan-2-carboxylate has a molecular weight of 389.24 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-(4-fluorophenyl)selenopheno[3,2-c]pyrazol-3-yl]furan-2-carboxylate is sourced from PubChem (CID 87226290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).