1-[indazol-1-yl-(4-nitrophenyl)methyl]indazole

C21H15N5O2 — CID 14962539

IUPAC1-[indazol-1-yl-(4-nitrophenyl)methyl]indazole
SMILESO=[N+]([O-])c1ccc(C(n2ncc3ccccc32)n2ncc3ccccc32)cc1
InChIInChI=1S/C21H15N5O2/c27-26(28)18-11-9-15(10-12-18)21(24-19-7-3-1-5-16(19)13-22-24)25-20-8-4-2-6-17(20)14-23-25/h1-14,21H
InChIKeyWTKXZGBTTYAECS-UHFFFAOYSA-N
MW369.38 g/mol
LogP4.39
Rot. Bonds4

About 1-[indazol-1-yl-(4-nitrophenyl)methyl]indazole

1-[indazol-1-yl-(4-nitrophenyl)methyl]indazole (PubChem CID 14962539) has the molecular formula C21H15N5O2 and a molecular weight of 369.38 g/mol. Its IUPAC name is 1-[indazol-1-yl-(4-nitrophenyl)methyl]indazole.

Molecular Properties

Compound Name1-[indazol-1-yl-(4-nitrophenyl)methyl]indazole
PubChem CID14962539
Molecular FormulaC21H15N5O2
Molecular Weight369.38 g/mol
Exact Mass369.12
IUPAC Name1-[indazol-1-yl-(4-nitrophenyl)methyl]indazole
SMILESO=[N+]([O-])c1ccc(C(n2ncc3ccccc32)n2ncc3ccccc32)cc1
InChIInChI=1S/C21H15N5O2/c27-26(28)18-11-9-15(10-12-18)21(24-19-7-3-1-5-16(19)13-22-24)25-20-8-4-2-6-17(20)14-23-25/h1-14,21H
InChIKeyWTKXZGBTTYAECS-UHFFFAOYSA-N
XLogP4.39
TPSA78.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

2-Methyl-6-nitro-2H-indazole
CID 81289
6-Nitro-2-phenyl-2H-indazole
CID 555231
1H-Indazole, 1-methyl-6-nitro-
CID 81290
2-(4-Methylphenyl)-6-nitro-2H-indazole
CID 620060
1-(2-methylphenyl)-4,6-dinitro-1H-indazole
CID 3932660
6-nitro-2-(3-nitrophenyl)-2H-indazole
CID 4413334
2-benzyl-5-nitro-2H-indazole
CID 4653102
2-Ethyl-4-nitro-2H-indazole
CID 10987078
1-ethyl-4-nitro-1H-indazole
CID 59548701
4,6-dinitro-1-(4-nitrophenyl)-1H-indazole
CID 3996802
6-Nitro-1-phenyl-1H-indazole
CID 617335
N-hexyl-N-methyl-6-nitroindazole-1-carboxamide
CID 12285833

Frequently Asked Questions

What is the IUPAC name of 1-[indazol-1-yl-(4-nitrophenyl)methyl]indazole?
The IUPAC name of 1-[indazol-1-yl-(4-nitrophenyl)methyl]indazole (CID 14962539) is 1-[indazol-1-yl-(4-nitrophenyl)methyl]indazole.
What is the SMILES notation for 1-[indazol-1-yl-(4-nitrophenyl)methyl]indazole?
The canonical SMILES for 1-[indazol-1-yl-(4-nitrophenyl)methyl]indazole is O=[N+]([O-])c1ccc(C(n2ncc3ccccc32)n2ncc3ccccc32)cc1.
What is the InChIKey of 1-[indazol-1-yl-(4-nitrophenyl)methyl]indazole?
The InChIKey is WTKXZGBTTYAECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2/c27-26(28)18-11-9-15(10-12-18)21(24-19-7-3-1-5-16(19)13-22-24)25-20-8-4-2-6-17(20)14-23-25/h1-14,21H.
What are the key properties of 1-[indazol-1-yl-(4-nitrophenyl)methyl]indazole?
1-[indazol-1-yl-(4-nitrophenyl)methyl]indazole has a molecular weight of 369.38 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[indazol-1-yl-(4-nitrophenyl)methyl]indazole is sourced from PubChem (CID 14962539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).