[2-(1-benzylindazol-3-yl)furan-3-yl]methanamine

C19H17N3O — CID 22465028

IUPAC[2-(1-benzylindazol-3-yl)furan-3-yl]methanamine
SMILESNCc1ccoc1-c1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H17N3O/c20-12-15-10-11-23-19(15)18-16-8-4-5-9-17(16)22(21-18)13-14-6-2-1-3-7-14/h1-11H,12-13,20H2
InChIKeyISCNCJLCEBZVQR-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.80
Rot. Bonds4

About [2-(1-benzylindazol-3-yl)furan-3-yl]methanamine

[2-(1-benzylindazol-3-yl)furan-3-yl]methanamine (PubChem CID 22465028) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is [2-(1-benzylindazol-3-yl)furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-(1-benzylindazol-3-yl)furan-3-yl]methanamine
PubChem CID22465028
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name[2-(1-benzylindazol-3-yl)furan-3-yl]methanamine
SMILESNCc1ccoc1-c1nn(Cc2ccccc2)c2ccccc12
InChIInChI=1S/C19H17N3O/c20-12-15-10-11-23-19(15)18-16-8-4-5-9-17(16)22(21-18)13-14-6-2-1-3-7-14/h1-11H,12-13,20H2
InChIKeyISCNCJLCEBZVQR-UHFFFAOYSA-N
XLogP3.80
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(1-benzylindazol-3-yl)furan-3-yl]methanamine?
The IUPAC name of [2-(1-benzylindazol-3-yl)furan-3-yl]methanamine (CID 22465028) is [2-(1-benzylindazol-3-yl)furan-3-yl]methanamine.
What is the SMILES notation for [2-(1-benzylindazol-3-yl)furan-3-yl]methanamine?
The canonical SMILES for [2-(1-benzylindazol-3-yl)furan-3-yl]methanamine is NCc1ccoc1-c1nn(Cc2ccccc2)c2ccccc12.
What is the InChIKey of [2-(1-benzylindazol-3-yl)furan-3-yl]methanamine?
The InChIKey is ISCNCJLCEBZVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c20-12-15-10-11-23-19(15)18-16-8-4-5-9-17(16)22(21-18)13-14-6-2-1-3-7-14/h1-11H,12-13,20H2.
What are the key properties of [2-(1-benzylindazol-3-yl)furan-3-yl]methanamine?
[2-(1-benzylindazol-3-yl)furan-3-yl]methanamine has a molecular weight of 303.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-benzylindazol-3-yl)furan-3-yl]methanamine is sourced from PubChem (CID 22465028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).