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

C16H12N2O2Se — CID 46193609

IUPAC[5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol
SMILESOCc1ccc(-c2nn(-c3ccccc3)c3cc[se]c23)o1
InChIInChI=1S/C16H12N2O2Se/c19-10-12-6-7-14(20-12)15-16-13(8-9-21-16)18(17-15)11-4-2-1-3-5-11/h1-9,19H,10H2
InChIKeyDJLKWDSCUAJBBV-UHFFFAOYSA-N
MW343.24 g/mol
LogP2.83
Rot. Bonds3

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

[5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol (PubChem CID 46193609) has the molecular formula C16H12N2O2Se and a molecular weight of 343.24 g/mol. Its IUPAC name is [5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol
PubChem CID46193609
Molecular FormulaC16H12N2O2Se
Molecular Weight343.24 g/mol
Exact Mass344.01
IUPAC Name[5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol
SMILESOCc1ccc(-c2nn(-c3ccccc3)c3cc[se]c23)o1
InChIInChI=1S/C16H12N2O2Se/c19-10-12-6-7-14(20-12)15-16-13(8-9-21-16)18(17-15)11-4-2-1-3-5-11/h1-9,19H,10H2
InChIKeyDJLKWDSCUAJBBV-UHFFFAOYSA-N
XLogP2.83
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.24
LogP ≤ 52.83
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-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol?
The IUPAC name of [5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol (CID 46193609) is [5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol.
What is the SMILES notation for [5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol?
The canonical SMILES for [5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol is OCc1ccc(-c2nn(-c3ccccc3)c3cc[se]c23)o1.
What is the InChIKey of [5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol?
The InChIKey is DJLKWDSCUAJBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2Se/c19-10-12-6-7-14(20-12)15-16-13(8-9-21-16)18(17-15)11-4-2-1-3-5-11/h1-9,19H,10H2.
What are the key properties of [5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol?
[5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol has a molecular weight of 343.24 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-phenylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol is sourced from PubChem (CID 46193609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).