3-(4-fluorophenyl)-1-(1-methoxyethoxymethyl)indazole

C17H17FN2O2 — CID 22480028

IUPAC3-(4-fluorophenyl)-1-(1-methoxyethoxymethyl)indazole
SMILESCOC(C)OCn1nc(-c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C17H17FN2O2/c1-12(21-2)22-11-20-16-6-4-3-5-15(16)17(19-20)13-7-9-14(18)10-8-13/h3-10,12H,11H2,1-2H3
InChIKeyNDHAKHZVJQHALO-UHFFFAOYSA-N
MW300.33 g/mol
LogP3.81
Rot. Bonds5

About 3-(4-fluorophenyl)-1-(1-methoxyethoxymethyl)indazole

3-(4-fluorophenyl)-1-(1-methoxyethoxymethyl)indazole (PubChem CID 22480028) has the molecular formula C17H17FN2O2 and a molecular weight of 300.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(1-methoxyethoxymethyl)indazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(1-methoxyethoxymethyl)indazole
PubChem CID22480028
Molecular FormulaC17H17FN2O2
Molecular Weight300.33 g/mol
Exact Mass300.13
IUPAC Name3-(4-fluorophenyl)-1-(1-methoxyethoxymethyl)indazole
SMILESCOC(C)OCn1nc(-c2ccc(F)cc2)c2ccccc21
InChIInChI=1S/C17H17FN2O2/c1-12(21-2)22-11-20-16-6-4-3-5-15(16)17(19-20)13-7-9-14(18)10-8-13/h3-10,12H,11H2,1-2H3
InChIKeyNDHAKHZVJQHALO-UHFFFAOYSA-N
XLogP3.81
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(1-methoxyethoxymethyl)indazole?
The IUPAC name of 3-(4-fluorophenyl)-1-(1-methoxyethoxymethyl)indazole (CID 22480028) is 3-(4-fluorophenyl)-1-(1-methoxyethoxymethyl)indazole.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(1-methoxyethoxymethyl)indazole?
The canonical SMILES for 3-(4-fluorophenyl)-1-(1-methoxyethoxymethyl)indazole is COC(C)OCn1nc(-c2ccc(F)cc2)c2ccccc21.
What is the InChIKey of 3-(4-fluorophenyl)-1-(1-methoxyethoxymethyl)indazole?
The InChIKey is NDHAKHZVJQHALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O2/c1-12(21-2)22-11-20-16-6-4-3-5-15(16)17(19-20)13-7-9-14(18)10-8-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-1-(1-methoxyethoxymethyl)indazole?
3-(4-fluorophenyl)-1-(1-methoxyethoxymethyl)indazole has a molecular weight of 300.33 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(1-methoxyethoxymethyl)indazole is sourced from PubChem (CID 22480028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).