[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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5'-Hydroxymethyl-2'-furyl)-1-benzylindazole
CID 5712
[5-(1-Benzylthieno[3,2-c]pyrazol-3-yl)furan-2-yl]methanol
CID 9796721
[5-[1-[(2-Fluorophenyl)methyl]indazol-3-yl]furan-2-yl]methanol
CID 9949053
2-Furanmethanol, 5-[1-[(4-fluorophenyl)methyl]-1H-indazol-3-yl]-
CID 11472726
[5-(1-Benzyl-5-methylfuro[3,2-c]pyrazol-3-yl)furan-2-yl]methanol
CID 11483649
[5-[1-(Pyridin-3-ylmethyl)indazol-3-yl]furan-2-yl]methanol
CID 15840332
[5-[1-(Pyridin-2-ylmethyl)indazol-3-yl]furan-2-yl]methanol
CID 15840335
5-[1-[(3-Fluorophenyl)methyl]-1H-indazol-3-yl]-2-furanmethanol
CID 21263021
[5-[1-[(2,6-Difluorophenyl)methyl]indazol-3-yl]furan-2-yl]methanol
CID 21334501
1-Benzyl-3-(5-hydroxymethyl-2-furyl)-5-methylselenolo[3,2-c]pyrazole
CID 46193613
[5-(1-Benzylindazol-3-yl)furan-2-yl]methyl 2-methylpropanoate
CID 56927665
[5-(1-Benzylindazol-3-yl)furan-2-yl]methyl 2,2-dimethylpropanoate
CID 57400552

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).