[4-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)phenyl]methanol

C19H16N2OSe — CID 46193611

IUPAC[4-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)phenyl]methanol
SMILESOCc1ccc(-c2nn(Cc3ccccc3)c3cc[se]c23)cc1
InChIInChI=1S/C19H16N2OSe/c22-13-15-6-8-16(9-7-15)18-19-17(10-11-23-19)21(20-18)12-14-4-2-1-3-5-14/h1-11,22H,12-13H2
InChIKeyYZRHQXCEXFLPLA-UHFFFAOYSA-N
MW367.31 g/mol
LogP3.30
Rot. Bonds4

About [4-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)phenyl]methanol

[4-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)phenyl]methanol (PubChem CID 46193611) has the molecular formula C19H16N2OSe and a molecular weight of 367.31 g/mol. Its IUPAC name is [4-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)phenyl]methanol.

Molecular Properties

Compound Name[4-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)phenyl]methanol
PubChem CID46193611
Molecular FormulaC19H16N2OSe
Molecular Weight367.31 g/mol
Exact Mass368.04
IUPAC Name[4-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)phenyl]methanol
SMILESOCc1ccc(-c2nn(Cc3ccccc3)c3cc[se]c23)cc1
InChIInChI=1S/C19H16N2OSe/c22-13-15-6-8-16(9-7-15)18-19-17(10-11-23-19)21(20-18)12-14-4-2-1-3-5-14/h1-11,22H,12-13H2
InChIKeyYZRHQXCEXFLPLA-UHFFFAOYSA-N
XLogP3.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [4-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)phenyl]methanol?
The IUPAC name of [4-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)phenyl]methanol (CID 46193611) is [4-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)phenyl]methanol.
What is the SMILES notation for [4-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)phenyl]methanol?
The canonical SMILES for [4-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)phenyl]methanol is OCc1ccc(-c2nn(Cc3ccccc3)c3cc[se]c23)cc1.
What is the InChIKey of [4-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)phenyl]methanol?
The InChIKey is YZRHQXCEXFLPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2OSe/c22-13-15-6-8-16(9-7-15)18-19-17(10-11-23-19)21(20-18)12-14-4-2-1-3-5-14/h1-11,22H,12-13H2.
What are the key properties of [4-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)phenyl]methanol?
[4-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)phenyl]methanol has a molecular weight of 367.31 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzylselenopheno[3,2-c]pyrazol-3-yl)phenyl]methanol is sourced from PubChem (CID 46193611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).