3-(4-methylphenyl)-1-(4-nitrophenyl)indazole

C20H15N3O2 — CID 10215228

IUPAC3-(4-methylphenyl)-1-(4-nitrophenyl)indazole
SMILESCc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1
InChIInChI=1S/C20H15N3O2/c1-14-6-8-15(9-7-14)20-18-4-2-3-5-19(18)22(21-20)16-10-12-17(13-11-16)23(24)25/h2-13H,1H3
InChIKeyDYOQOKDSMANCEY-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.91
Rot. Bonds3

About 3-(4-methylphenyl)-1-(4-nitrophenyl)indazole

3-(4-methylphenyl)-1-(4-nitrophenyl)indazole (PubChem CID 10215228) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1-(4-nitrophenyl)indazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-1-(4-nitrophenyl)indazole
PubChem CID10215228
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name3-(4-methylphenyl)-1-(4-nitrophenyl)indazole
SMILESCc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1
InChIInChI=1S/C20H15N3O2/c1-14-6-8-15(9-7-14)20-18-4-2-3-5-19(18)22(21-20)16-10-12-17(13-11-16)23(24)25/h2-13H,1H3
InChIKeyDYOQOKDSMANCEY-UHFFFAOYSA-N
XLogP4.91
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.91
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 3-(4-methylphenyl)-1-(4-nitrophenyl)indazole?
The IUPAC name of 3-(4-methylphenyl)-1-(4-nitrophenyl)indazole (CID 10215228) is 3-(4-methylphenyl)-1-(4-nitrophenyl)indazole.
What is the SMILES notation for 3-(4-methylphenyl)-1-(4-nitrophenyl)indazole?
The canonical SMILES for 3-(4-methylphenyl)-1-(4-nitrophenyl)indazole is Cc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c3ccccc23)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1-(4-nitrophenyl)indazole?
The InChIKey is DYOQOKDSMANCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-14-6-8-15(9-7-14)20-18-4-2-3-5-19(18)22(21-20)16-10-12-17(13-11-16)23(24)25/h2-13H,1H3.
What are the key properties of 3-(4-methylphenyl)-1-(4-nitrophenyl)indazole?
3-(4-methylphenyl)-1-(4-nitrophenyl)indazole has a molecular weight of 329.36 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-1-(4-nitrophenyl)indazole is sourced from PubChem (CID 10215228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).