[5-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol

C17H14N2O2Se — CID 46193251

IUPAC[5-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol
SMILESOCc1ccc(-c2nn(Cc3ccccc3)c3cc[se]c23)o1
InChIInChI=1S/C17H14N2O2Se/c20-11-13-6-7-15(21-13)16-17-14(8-9-22-17)19(18-16)10-12-4-2-1-3-5-12/h1-9,20H,10-11H2
InChIKeyDFJHSIWKRPQMAA-UHFFFAOYSA-N
MW357.27 g/mol
LogP2.89
Rot. Bonds4

About [5-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol

[5-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol (PubChem CID 46193251) has the molecular formula C17H14N2O2Se and a molecular weight of 357.27 g/mol. Its IUPAC name is [5-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol
PubChem CID46193251
Molecular FormulaC17H14N2O2Se
Molecular Weight357.27 g/mol
Exact Mass358.02
IUPAC Name[5-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol
SMILESOCc1ccc(-c2nn(Cc3ccccc3)c3cc[se]c23)o1
InChIInChI=1S/C17H14N2O2Se/c20-11-13-6-7-15(21-13)16-17-14(8-9-22-17)19(18-16)10-12-4-2-1-3-5-12/h1-9,20H,10-11H2
InChIKeyDFJHSIWKRPQMAA-UHFFFAOYSA-N
XLogP2.89
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
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 [5-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol?
The IUPAC name of [5-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol (CID 46193251) is [5-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol.
What is the SMILES notation for [5-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol?
The canonical SMILES for [5-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol is OCc1ccc(-c2nn(Cc3ccccc3)c3cc[se]c23)o1.
What is the InChIKey of [5-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol?
The InChIKey is DFJHSIWKRPQMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2Se/c20-11-13-6-7-15(21-13)16-17-14(8-9-22-17)19(18-16)10-12-4-2-1-3-5-12/h1-9,20H,10-11H2.
What are the key properties of [5-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol?
[5-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol has a molecular weight of 357.27 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol is sourced from PubChem (CID 46193251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).