3-(naphthalen-2-ylmethoxy)-5-nitro-1H-indazole

C18H13N3O3 — CID 152763228

IUPAC3-(naphthalen-2-ylmethoxy)-5-nitro-1H-indazole
SMILESO=[N+]([O-])c1ccc2[nH]nc(OCc3ccc4ccccc4c3)c2c1
InChIInChI=1S/C18H13N3O3/c22-21(23)15-7-8-17-16(10-15)18(20-19-17)24-11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H,19,20)
InChIKeyUVAXYHRRCLDBRZ-UHFFFAOYSA-N
MW319.32 g/mol
LogP4.20
Rot. Bonds4

About 3-(naphthalen-2-ylmethoxy)-5-nitro-1H-indazole

3-(naphthalen-2-ylmethoxy)-5-nitro-1H-indazole (PubChem CID 152763228) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 3-(naphthalen-2-ylmethoxy)-5-nitro-1H-indazole.

Molecular Properties

Compound Name3-(naphthalen-2-ylmethoxy)-5-nitro-1H-indazole
PubChem CID152763228
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC Name3-(naphthalen-2-ylmethoxy)-5-nitro-1H-indazole
SMILESO=[N+]([O-])c1ccc2[nH]nc(OCc3ccc4ccccc4c3)c2c1
InChIInChI=1S/C18H13N3O3/c22-21(23)15-7-8-17-16(10-15)18(20-19-17)24-11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H,19,20)
InChIKeyUVAXYHRRCLDBRZ-UHFFFAOYSA-N
XLogP4.20
TPSA81.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-Benzyl-3-(naphthalen-2-ylmethoxy)-5-nitroindazole
CID 51357044
1-Methyl-3-(naphthalen-1-ylmethoxy)-5-nitroindazole
CID 51357318
3-(Naphthalen-2-ylmethoxy)-5-nitro-1-propylindazole
CID 51357867
3-(Naphthalen-2-ylmethoxy)-5-nitro-1-(2-piperidin-1-ylethyl)indazole
CID 76328792
3-(naphthalen-1-ylmethoxy)-5-nitro-1H-indazole
CID 141700628
3-(naphthalen-1-ylmethoxy)-1H-indazole
CID 154487473
3-(Naphthalen-1-ylmethoxy)-1-(naphthalen-1-ylmethyl)-5-nitroindazole
CID 76310709
3-[(2-chlorophenyl)methoxy]-5-nitro-1H-indazole
CID 438826
3-(Naphthalen-2-ylmethoxy)-5-nitro-1-pentylindazole
CID 51357043
1-Methyl-3-(naphthalen-2-ylmethoxy)-5-nitroindazole
CID 71456657
3-[(4-methoxyphenyl)methoxy]-5-nitro-1H-indazole
CID 141700630
3-(naphthalen-2-ylmethoxy)-1H-indazole
CID 152763229

Frequently Asked Questions

What is the IUPAC name of 3-(naphthalen-2-ylmethoxy)-5-nitro-1H-indazole?
The IUPAC name of 3-(naphthalen-2-ylmethoxy)-5-nitro-1H-indazole (CID 152763228) is 3-(naphthalen-2-ylmethoxy)-5-nitro-1H-indazole.
What is the SMILES notation for 3-(naphthalen-2-ylmethoxy)-5-nitro-1H-indazole?
The canonical SMILES for 3-(naphthalen-2-ylmethoxy)-5-nitro-1H-indazole is O=[N+]([O-])c1ccc2[nH]nc(OCc3ccc4ccccc4c3)c2c1.
What is the InChIKey of 3-(naphthalen-2-ylmethoxy)-5-nitro-1H-indazole?
The InChIKey is UVAXYHRRCLDBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c22-21(23)15-7-8-17-16(10-15)18(20-19-17)24-11-12-5-6-13-3-1-2-4-14(13)9-12/h1-10H,11H2,(H,19,20).
What are the key properties of 3-(naphthalen-2-ylmethoxy)-5-nitro-1H-indazole?
3-(naphthalen-2-ylmethoxy)-5-nitro-1H-indazole has a molecular weight of 319.32 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(naphthalen-2-ylmethoxy)-5-nitro-1H-indazole is sourced from PubChem (CID 152763228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).