2-benzyl-5-nitroindazole

C14H11N3O2 — CID 4653102

IUPAC2-benzyl-5-nitroindazole
SMILESO=[N+]([O-])c1ccc2nn(Cc3ccccc3)cc2c1
InChIInChI=1S/C14H11N3O2/c18-17(19)13-6-7-14-12(8-13)10-16(15-14)9-11-4-2-1-3-5-11/h1-8,10H,9H2
InChIKeyONOBHKWISLHHCC-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.99
Rot. Bonds3

About 2-benzyl-5-nitroindazole

2-benzyl-5-nitroindazole (PubChem CID 4653102) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-benzyl-5-nitroindazole.

Molecular Properties

Compound Name2-benzyl-5-nitroindazole
PubChem CID4653102
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name2-benzyl-5-nitroindazole
SMILESO=[N+]([O-])c1ccc2nn(Cc3ccccc3)cc2c1
InChIInChI=1S/C14H11N3O2/c18-17(19)13-6-7-14-12(8-13)10-16(15-14)9-11-4-2-1-3-5-11/h1-8,10H,9H2
InChIKeyONOBHKWISLHHCC-UHFFFAOYSA-N
XLogP2.99
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.99
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-nitroindazole?
The IUPAC name of 2-benzyl-5-nitroindazole (CID 4653102) is 2-benzyl-5-nitroindazole.
What is the SMILES notation for 2-benzyl-5-nitroindazole?
The canonical SMILES for 2-benzyl-5-nitroindazole is O=[N+]([O-])c1ccc2nn(Cc3ccccc3)cc2c1.
What is the InChIKey of 2-benzyl-5-nitroindazole?
The InChIKey is ONOBHKWISLHHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c18-17(19)13-6-7-14-12(8-13)10-16(15-14)9-11-4-2-1-3-5-11/h1-8,10H,9H2.
What are the key properties of 2-benzyl-5-nitroindazole?
2-benzyl-5-nitroindazole has a molecular weight of 253.26 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-nitroindazole is sourced from PubChem (CID 4653102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).