4-methoxy-3-[2-(4-methylphenyl)ethyl]-2H-indazol-5-amine

C17H19N3O — CID 89206287

IUPAC4-methoxy-3-[2-(4-methylphenyl)ethyl]-2H-indazol-5-amine
SMILESCOc1c(N)ccc2n[nH]c(CCc3ccc(C)cc3)c12
InChIInChI=1S/C17H19N3O/c1-11-3-5-12(6-4-11)7-9-14-16-15(20-19-14)10-8-13(18)17(16)21-2/h3-6,8,10H,7,9,18H2,1-2H3,(H,19,20)
InChIKeyIPTZSFBYQHSCAX-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.25
Rot. Bonds4

About 4-methoxy-3-[2-(4-methylphenyl)ethyl]-2H-indazol-5-amine

4-methoxy-3-[2-(4-methylphenyl)ethyl]-2H-indazol-5-amine (PubChem CID 89206287) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-methoxy-3-[2-(4-methylphenyl)ethyl]-2H-indazol-5-amine.

Molecular Properties

Compound Name4-methoxy-3-[2-(4-methylphenyl)ethyl]-2H-indazol-5-amine
PubChem CID89206287
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-methoxy-3-[2-(4-methylphenyl)ethyl]-2H-indazol-5-amine
SMILESCOc1c(N)ccc2n[nH]c(CCc3ccc(C)cc3)c12
InChIInChI=1S/C17H19N3O/c1-11-3-5-12(6-4-11)7-9-14-16-15(20-19-14)10-8-13(18)17(16)21-2/h3-6,8,10H,7,9,18H2,1-2H3,(H,19,20)
InChIKeyIPTZSFBYQHSCAX-UHFFFAOYSA-N
XLogP3.25
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.25
H-Bond Donors ≤ 52
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 4-methoxy-3-[2-(4-methylphenyl)ethyl]-2H-indazol-5-amine?
The IUPAC name of 4-methoxy-3-[2-(4-methylphenyl)ethyl]-2H-indazol-5-amine (CID 89206287) is 4-methoxy-3-[2-(4-methylphenyl)ethyl]-2H-indazol-5-amine.
What is the SMILES notation for 4-methoxy-3-[2-(4-methylphenyl)ethyl]-2H-indazol-5-amine?
The canonical SMILES for 4-methoxy-3-[2-(4-methylphenyl)ethyl]-2H-indazol-5-amine is COc1c(N)ccc2n[nH]c(CCc3ccc(C)cc3)c12.
What is the InChIKey of 4-methoxy-3-[2-(4-methylphenyl)ethyl]-2H-indazol-5-amine?
The InChIKey is IPTZSFBYQHSCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-3-5-12(6-4-11)7-9-14-16-15(20-19-14)10-8-13(18)17(16)21-2/h3-6,8,10H,7,9,18H2,1-2H3,(H,19,20).
What are the key properties of 4-methoxy-3-[2-(4-methylphenyl)ethyl]-2H-indazol-5-amine?
4-methoxy-3-[2-(4-methylphenyl)ethyl]-2H-indazol-5-amine has a molecular weight of 281.36 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[2-(4-methylphenyl)ethyl]-2H-indazol-5-amine is sourced from PubChem (CID 89206287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).