1-(2-phenylethyl)indazol-6-amine

C15H15N3 — CID 22693545

IUPAC1-(2-phenylethyl)indazol-6-amine
SMILESNc1ccc2cnn(CCc3ccccc3)c2c1
InChIInChI=1S/C15H15N3/c16-14-7-6-13-11-17-18(15(13)10-14)9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9,16H2
InChIKeyGUMZPKCHBQANEK-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.86
Rot. Bonds3

About 1-(2-phenylethyl)indazol-6-amine

1-(2-phenylethyl)indazol-6-amine (PubChem CID 22693545) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 1-(2-phenylethyl)indazol-6-amine.

Molecular Properties

Compound Name1-(2-phenylethyl)indazol-6-amine
PubChem CID22693545
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name1-(2-phenylethyl)indazol-6-amine
SMILESNc1ccc2cnn(CCc3ccccc3)c2c1
InChIInChI=1S/C15H15N3/c16-14-7-6-13-11-17-18(15(13)10-14)9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9,16H2
InChIKeyGUMZPKCHBQANEK-UHFFFAOYSA-N
XLogP2.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-phenylethyl)indazol-6-amine?
The IUPAC name of 1-(2-phenylethyl)indazol-6-amine (CID 22693545) is 1-(2-phenylethyl)indazol-6-amine.
What is the SMILES notation for 1-(2-phenylethyl)indazol-6-amine?
The canonical SMILES for 1-(2-phenylethyl)indazol-6-amine is Nc1ccc2cnn(CCc3ccccc3)c2c1.
What is the InChIKey of 1-(2-phenylethyl)indazol-6-amine?
The InChIKey is GUMZPKCHBQANEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c16-14-7-6-13-11-17-18(15(13)10-14)9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9,16H2.
What are the key properties of 1-(2-phenylethyl)indazol-6-amine?
1-(2-phenylethyl)indazol-6-amine has a molecular weight of 237.31 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)indazol-6-amine is sourced from PubChem (CID 22693545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).