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

C17H14N2O2Se — CID 46193612

IUPAC[5-(5-methyl-1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol
SMILESCc1cc2c([se]1)c(-c1ccc(CO)o1)nn2-c1ccccc1
InChIInChI=1S/C17H14N2O2Se/c1-11-9-14-17(22-11)16(15-8-7-13(10-20)21-15)18-19(14)12-5-3-2-4-6-12/h2-9,20H,10H2,1H3
InChIKeyFXLJJGNZBDENKS-UHFFFAOYSA-N
MW357.27 g/mol
LogP3.14
Rot. Bonds3

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

[5-(5-methyl-1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol (PubChem CID 46193612) has the molecular formula C17H14N2O2Se and a molecular weight of 357.27 g/mol. Its IUPAC name is [5-(5-methyl-1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-(5-methyl-1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol
PubChem CID46193612
Molecular FormulaC17H14N2O2Se
Molecular Weight357.27 g/mol
Exact Mass358.02
IUPAC Name[5-(5-methyl-1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol
SMILESCc1cc2c([se]1)c(-c1ccc(CO)o1)nn2-c1ccccc1
InChIInChI=1S/C17H14N2O2Se/c1-11-9-14-17(22-11)16(15-8-7-13(10-20)21-15)18-19(14)12-5-3-2-4-6-12/h2-9,20H,10H2,1H3
InChIKeyFXLJJGNZBDENKS-UHFFFAOYSA-N
XLogP3.14
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.27
LogP ≤ 53.14
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-(5-methyl-1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol?
The IUPAC name of [5-(5-methyl-1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol (CID 46193612) is [5-(5-methyl-1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol.
What is the SMILES notation for [5-(5-methyl-1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol?
The canonical SMILES for [5-(5-methyl-1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol is Cc1cc2c([se]1)c(-c1ccc(CO)o1)nn2-c1ccccc1.
What is the InChIKey of [5-(5-methyl-1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol?
The InChIKey is FXLJJGNZBDENKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2Se/c1-11-9-14-17(22-11)16(15-8-7-13(10-20)21-15)18-19(14)12-5-3-2-4-6-12/h2-9,20H,10H2,1H3.
What are the key properties of [5-(5-methyl-1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol?
[5-(5-methyl-1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol has a molecular weight of 357.27 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methyl-1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol is sourced from PubChem (CID 46193612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).