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

C18H16N2O2Se — CID 46193613

IUPAC[5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol
SMILESCc1cc2c([se]1)c(-c1ccc(CO)o1)nn2Cc1ccccc1
InChIInChI=1S/C18H16N2O2Se/c1-12-9-15-18(23-12)17(16-8-7-14(11-21)22-16)19-20(15)10-13-5-3-2-4-6-13/h2-9,21H,10-11H2,1H3
InChIKeyUPTQUTFUSYNYBZ-UHFFFAOYSA-N
MW371.30 g/mol
LogP3.20
Rot. Bonds4

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

[5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol (PubChem CID 46193613) has the molecular formula C18H16N2O2Se and a molecular weight of 371.30 g/mol. Its IUPAC name is [5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol.

Molecular Properties

Compound Name[5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol
PubChem CID46193613
Molecular FormulaC18H16N2O2Se
Molecular Weight371.30 g/mol
Exact Mass372.04
IUPAC Name[5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol
SMILESCc1cc2c([se]1)c(-c1ccc(CO)o1)nn2Cc1ccccc1
InChIInChI=1S/C18H16N2O2Se/c1-12-9-15-18(23-12)17(16-8-7-14(11-21)22-16)19-20(15)10-13-5-3-2-4-6-13/h2-9,21H,10-11H2,1H3
InChIKeyUPTQUTFUSYNYBZ-UHFFFAOYSA-N
XLogP3.20
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.30
LogP ≤ 53.20
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-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol?
The IUPAC name of [5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol (CID 46193613) is [5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol.
What is the SMILES notation for [5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol?
The canonical SMILES for [5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol is Cc1cc2c([se]1)c(-c1ccc(CO)o1)nn2Cc1ccccc1.
What is the InChIKey of [5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol?
The InChIKey is UPTQUTFUSYNYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2Se/c1-12-9-15-18(23-12)17(16-8-7-14(11-21)22-16)19-20(15)10-13-5-3-2-4-6-13/h2-9,21H,10-11H2,1H3.
What are the key properties of [5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol?
[5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol has a molecular weight of 371.30 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-benzyl-5-methylselenopheno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol is sourced from PubChem (CID 46193613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).