4-[[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]methyl]benzonitrile

C20H15N3O2 — CID 21334496

IUPAC4-[[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2nc(-c3ccc(CO)o3)c3ccccc32)cc1
InChIInChI=1S/C20H15N3O2/c21-11-14-5-7-15(8-6-14)12-23-18-4-2-1-3-17(18)20(22-23)19-10-9-16(13-24)25-19/h1-10,24H,12-13H2
InChIKeyCCOKKRRFHHAEGV-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.71
Rot. Bonds4

About 4-[[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]methyl]benzonitrile

4-[[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]methyl]benzonitrile (PubChem CID 21334496) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-[[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]methyl]benzonitrile
PubChem CID21334496
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name4-[[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cn2nc(-c3ccc(CO)o3)c3ccccc32)cc1
InChIInChI=1S/C20H15N3O2/c21-11-14-5-7-15(8-6-14)12-23-18-4-2-1-3-17(18)20(22-23)19-10-9-16(13-24)25-19/h1-10,24H,12-13H2
InChIKeyCCOKKRRFHHAEGV-UHFFFAOYSA-N
XLogP3.71
TPSA74.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]methyl]benzonitrile?
The IUPAC name of 4-[[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]methyl]benzonitrile (CID 21334496) is 4-[[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]methyl]benzonitrile is N#Cc1ccc(Cn2nc(-c3ccc(CO)o3)c3ccccc32)cc1.
What is the InChIKey of 4-[[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]methyl]benzonitrile?
The InChIKey is CCOKKRRFHHAEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c21-11-14-5-7-15(8-6-14)12-23-18-4-2-1-3-17(18)20(22-23)19-10-9-16(13-24)25-19/h1-10,24H,12-13H2.
What are the key properties of 4-[[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]methyl]benzonitrile?
4-[[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]methyl]benzonitrile has a molecular weight of 329.36 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[5-(hydroxymethyl)furan-2-yl]indazol-1-yl]methyl]benzonitrile is sourced from PubChem (CID 21334496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).