1-methyl-3-(naphthalen-1-ylmethoxy)-5-nitroindazole

C19H15N3O3 — CID 51357318

IUPAC1-methyl-3-(naphthalen-1-ylmethoxy)-5-nitroindazole
SMILESCn1nc(OCc2cccc3ccccc23)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C19H15N3O3/c1-21-18-10-9-15(22(23)24)11-17(18)19(20-21)25-12-14-7-4-6-13-5-2-3-8-16(13)14/h2-11H,12H2,1H3
InChIKeySMLNMFCFRWMVSV-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.21
Rot. Bonds4

About 1-methyl-3-(naphthalen-1-ylmethoxy)-5-nitroindazole

1-methyl-3-(naphthalen-1-ylmethoxy)-5-nitroindazole (PubChem CID 51357318) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 1-methyl-3-(naphthalen-1-ylmethoxy)-5-nitroindazole.

Molecular Properties

Compound Name1-methyl-3-(naphthalen-1-ylmethoxy)-5-nitroindazole
PubChem CID51357318
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name1-methyl-3-(naphthalen-1-ylmethoxy)-5-nitroindazole
SMILESCn1nc(OCc2cccc3ccccc23)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C19H15N3O3/c1-21-18-10-9-15(22(23)24)11-17(18)19(20-21)25-12-14-7-4-6-13-5-2-3-8-16(13)14/h2-11H,12H2,1H3
InChIKeySMLNMFCFRWMVSV-UHFFFAOYSA-N
XLogP4.21
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(naphthalen-1-ylmethoxy)-5-nitroindazole?
The IUPAC name of 1-methyl-3-(naphthalen-1-ylmethoxy)-5-nitroindazole (CID 51357318) is 1-methyl-3-(naphthalen-1-ylmethoxy)-5-nitroindazole.
What is the SMILES notation for 1-methyl-3-(naphthalen-1-ylmethoxy)-5-nitroindazole?
The canonical SMILES for 1-methyl-3-(naphthalen-1-ylmethoxy)-5-nitroindazole is Cn1nc(OCc2cccc3ccccc23)c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 1-methyl-3-(naphthalen-1-ylmethoxy)-5-nitroindazole?
The InChIKey is SMLNMFCFRWMVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-21-18-10-9-15(22(23)24)11-17(18)19(20-21)25-12-14-7-4-6-13-5-2-3-8-16(13)14/h2-11H,12H2,1H3.
What are the key properties of 1-methyl-3-(naphthalen-1-ylmethoxy)-5-nitroindazole?
1-methyl-3-(naphthalen-1-ylmethoxy)-5-nitroindazole has a molecular weight of 333.35 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(naphthalen-1-ylmethoxy)-5-nitroindazole is sourced from PubChem (CID 51357318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).