3-(3-methylphenyl)-5-nitro-1H-indazole

C14H11N3O2 — CID 71303796

IUPAC3-(3-methylphenyl)-5-nitro-1H-indazole
SMILESCc1cccc(-c2n[nH]c3ccc([N+](=O)[O-])cc23)c1
InChIInChI=1S/C14H11N3O2/c1-9-3-2-4-10(7-9)14-12-8-11(17(18)19)5-6-13(12)15-16-14/h2-8H,1H3,(H,15,16)
InChIKeyLWQHBFQSHXVSFP-UHFFFAOYSA-N
MW253.26 g/mol
LogP3.45
Rot. Bonds2

About 3-(3-methylphenyl)-5-nitro-1H-indazole

3-(3-methylphenyl)-5-nitro-1H-indazole (PubChem CID 71303796) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-(3-methylphenyl)-5-nitro-1H-indazole.

Molecular Properties

Compound Name3-(3-methylphenyl)-5-nitro-1H-indazole
PubChem CID71303796
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name3-(3-methylphenyl)-5-nitro-1H-indazole
SMILESCc1cccc(-c2n[nH]c3ccc([N+](=O)[O-])cc23)c1
InChIInChI=1S/C14H11N3O2/c1-9-3-2-4-10(7-9)14-12-8-11(17(18)19)5-6-13(12)15-16-14/h2-8H,1H3,(H,15,16)
InChIKeyLWQHBFQSHXVSFP-UHFFFAOYSA-N
XLogP3.45
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

3-(furan-2-yl)-5-nitro-1H-indazole
CID 76847948
ethane;3-[3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]-5-nitro-1H-indazole
CID 142958172
5-nitro-3-[5-(trifluoromethyl)-3-pyridinyl]-1H-indazole
CID 71607351
3-(3-methylphenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
CID 21092512
1-methyl-3-nitrobenzene chloride
CID 20509973
3-(3-methylphenyl)-5-(4-nitrophenyl)-1H-1,2,4-triazole
CID 43826555
3-methyl-6-nitro-9H-carbazole
CID 58160212
4-[5-methyl-3-(3-nitrophenyl)-1H-pyrazol-4-yl]pyridine
CID 22037254
1-methyl-3-nitrobenzene
CID 7422
3-bromo-6-nitro-1H-cinnolin-4-one
CID 20505029
4-N-[3-(3-nitrophenyl)-1H-indazol-5-yl]benzene-1,4-dicarboxamide
CID 170562674
azane;1-methyl-3-nitrobenzene
CID 174504430

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-5-nitro-1H-indazole?
The IUPAC name of 3-(3-methylphenyl)-5-nitro-1H-indazole (CID 71303796) is 3-(3-methylphenyl)-5-nitro-1H-indazole.
What is the SMILES notation for 3-(3-methylphenyl)-5-nitro-1H-indazole?
The canonical SMILES for 3-(3-methylphenyl)-5-nitro-1H-indazole is Cc1cccc(-c2n[nH]c3ccc([N+](=O)[O-])cc23)c1.
What is the InChIKey of 3-(3-methylphenyl)-5-nitro-1H-indazole?
The InChIKey is LWQHBFQSHXVSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9-3-2-4-10(7-9)14-12-8-11(17(18)19)5-6-13(12)15-16-14/h2-8H,1H3,(H,15,16).
What are the key properties of 3-(3-methylphenyl)-5-nitro-1H-indazole?
3-(3-methylphenyl)-5-nitro-1H-indazole has a molecular weight of 253.26 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-5-nitro-1H-indazole is sourced from PubChem (CID 71303796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).