ethoxy-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine

C16H16FN3O — CID 21101188

IUPACethoxy-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine
SMILESCCOC(N)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C16H16FN3O/c1-2-21-16(18)11-5-8-14-13(9-11)15(20-19-14)10-3-6-12(17)7-4-10/h3-9,16H,2,18H2,1H3,(H,19,20)
InChIKeySHXUPAZQCHWBLF-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.36
Rot. Bonds4

About ethoxy-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine

ethoxy-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine (PubChem CID 21101188) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is ethoxy-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine.

Molecular Properties

Compound Nameethoxy-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine
PubChem CID21101188
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Nameethoxy-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine
SMILESCCOC(N)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C16H16FN3O/c1-2-21-16(18)11-5-8-14-13(9-11)15(20-19-14)10-3-6-12(17)7-4-10/h3-9,16H,2,18H2,1H3,(H,19,20)
InChIKeySHXUPAZQCHWBLF-UHFFFAOYSA-N
XLogP3.36
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-(methoxymethyl)-5-[2-(trifluoromethyl)phenyl]-1H-indazole
CID 90645469
CID 56723347
CID 56723347
5-[[4-[(3,4-difluorophenyl)methoxy]piperidin-1-yl]methyl]-1H-indazole
CID 168292951
1-[3-(4-Fluorophenyl)-1H-Indazol-5-YL]-2-Phenylethan-1-Ol
CID 22479933
ethyl 3-(4-fluorophenyl)-1H-indazole-5-carboxylate
CID 22479944
[3-(5-methyl-1H-indazol-3-yl)phenyl]methanol
CID 155410588
4-{1H,4H,6H,7H-pyrano[4,3-c]pyrazol-3-yl}aniline
CID 137698871
1'-[4-[5-(trifluoromethyl)-2H-indazol-3-yl]butyl]spiro[1H-2-benzofuran-3,4'-piperidine]
CID 22012179
C-{3-(3-Fluoro-phenyl)-6-methoxy-1H-indazol-5-yl}-methylamine
CID 22260835
[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methanamine
CID 22260950
ethoxy[3-(4-fluorophenyl)(1H-indazol-5-yl)]methanimine
CID 22479740
N-ethoxy-1-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine
CID 22480282

Frequently Asked Questions

What is the IUPAC name of ethoxy-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine?
The IUPAC name of ethoxy-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine (CID 21101188) is ethoxy-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine.
What is the SMILES notation for ethoxy-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine?
The canonical SMILES for ethoxy-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine is CCOC(N)c1ccc2[nH]nc(-c3ccc(F)cc3)c2c1.
What is the InChIKey of ethoxy-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine?
The InChIKey is SHXUPAZQCHWBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-2-21-16(18)11-5-8-14-13(9-11)15(20-19-14)10-3-6-12(17)7-4-10/h3-9,16H,2,18H2,1H3,(H,19,20).
What are the key properties of ethoxy-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine?
ethoxy-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine has a molecular weight of 285.32 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[3-(4-fluorophenyl)-1H-indazol-5-yl]methanamine is sourced from PubChem (CID 21101188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).