1-benzyl-3-phenylmethoxyindazol-5-amine

C21H19N3O — CID 51357868

IUPAC1-benzyl-3-phenylmethoxyindazol-5-amine
SMILESNc1ccc2c(c1)c(OCc1ccccc1)nn2Cc1ccccc1
InChIInChI=1S/C21H19N3O/c22-18-11-12-20-19(13-18)21(25-15-17-9-5-2-6-10-17)23-24(20)14-16-7-3-1-4-8-16/h1-13H,14-15,22H2
InChIKeyXBGJISBWJWTPLH-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.25
Rot. Bonds5

About 1-benzyl-3-phenylmethoxyindazol-5-amine

1-benzyl-3-phenylmethoxyindazol-5-amine (PubChem CID 51357868) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-benzyl-3-phenylmethoxyindazol-5-amine.

Molecular Properties

Compound Name1-benzyl-3-phenylmethoxyindazol-5-amine
PubChem CID51357868
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name1-benzyl-3-phenylmethoxyindazol-5-amine
SMILESNc1ccc2c(c1)c(OCc1ccccc1)nn2Cc1ccccc1
InChIInChI=1S/C21H19N3O/c22-18-11-12-20-19(13-18)21(25-15-17-9-5-2-6-10-17)23-24(20)14-16-7-3-1-4-8-16/h1-13H,14-15,22H2
InChIKeyXBGJISBWJWTPLH-UHFFFAOYSA-N
XLogP4.25
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-phenylmethoxyindazol-5-amine?
The IUPAC name of 1-benzyl-3-phenylmethoxyindazol-5-amine (CID 51357868) is 1-benzyl-3-phenylmethoxyindazol-5-amine.
What is the SMILES notation for 1-benzyl-3-phenylmethoxyindazol-5-amine?
The canonical SMILES for 1-benzyl-3-phenylmethoxyindazol-5-amine is Nc1ccc2c(c1)c(OCc1ccccc1)nn2Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-phenylmethoxyindazol-5-amine?
The InChIKey is XBGJISBWJWTPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c22-18-11-12-20-19(13-18)21(25-15-17-9-5-2-6-10-17)23-24(20)14-16-7-3-1-4-8-16/h1-13H,14-15,22H2.
What are the key properties of 1-benzyl-3-phenylmethoxyindazol-5-amine?
1-benzyl-3-phenylmethoxyindazol-5-amine has a molecular weight of 329.40 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-phenylmethoxyindazol-5-amine is sourced from PubChem (CID 51357868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).