3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-indazole

C14H12N2O3 — CID 22239006

IUPAC3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-indazole
SMILESc1ccc2c(-c3ccc(C4OCCO4)o3)n[nH]c2c1
InChIInChI=1S/C14H12N2O3/c1-2-4-10-9(3-1)13(16-15-10)11-5-6-12(19-11)14-17-7-8-18-14/h1-6,14H,7-8H2,(H,15,16)
InChIKeyJWFQLNWGQXEAJT-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.87
Rot. Bonds2

About 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-indazole

3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-indazole (PubChem CID 22239006) has the molecular formula C14H12N2O3 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-indazole.

Molecular Properties

Compound Name3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-indazole
PubChem CID22239006
Molecular FormulaC14H12N2O3
Molecular Weight256.26 g/mol
Exact Mass256.08
IUPAC Name3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-indazole
SMILESc1ccc2c(-c3ccc(C4OCCO4)o3)n[nH]c2c1
InChIInChI=1S/C14H12N2O3/c1-2-4-10-9(3-1)13(16-15-10)11-5-6-12(19-11)14-17-7-8-18-14/h1-6,14H,7-8H2,(H,15,16)
InChIKeyJWFQLNWGQXEAJT-UHFFFAOYSA-N
XLogP2.87
TPSA60.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-indazole?
The IUPAC name of 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-indazole (CID 22239006) is 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-indazole.
What is the SMILES notation for 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-indazole?
The canonical SMILES for 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-indazole is c1ccc2c(-c3ccc(C4OCCO4)o3)n[nH]c2c1.
What is the InChIKey of 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-indazole?
The InChIKey is JWFQLNWGQXEAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O3/c1-2-4-10-9(3-1)13(16-15-10)11-5-6-12(19-11)14-17-7-8-18-14/h1-6,14H,7-8H2,(H,15,16).
What are the key properties of 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-indazole?
3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-indazole has a molecular weight of 256.26 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1,3-dioxolan-2-yl)furan-2-yl]-1H-indazole is sourced from PubChem (CID 22239006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).