5-methoxy-1-[(3-nitrophenyl)methyl]indazole

C15H13N3O3 — CID 15429052

IUPAC5-methoxy-1-[(3-nitrophenyl)methyl]indazole
SMILESCOc1ccc2c(cnn2Cc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H13N3O3/c1-21-14-5-6-15-12(8-14)9-16-17(15)10-11-3-2-4-13(7-11)18(19)20/h2-9H,10H2,1H3
InChIKeyCZPKAJLBYVABDO-UHFFFAOYSA-N
MW283.29 g/mol
LogP3.00
Rot. Bonds4

About 5-methoxy-1-[(3-nitrophenyl)methyl]indazole

5-methoxy-1-[(3-nitrophenyl)methyl]indazole (PubChem CID 15429052) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-methoxy-1-[(3-nitrophenyl)methyl]indazole.

Molecular Properties

Compound Name5-methoxy-1-[(3-nitrophenyl)methyl]indazole
PubChem CID15429052
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name5-methoxy-1-[(3-nitrophenyl)methyl]indazole
SMILESCOc1ccc2c(cnn2Cc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C15H13N3O3/c1-21-14-5-6-15-12(8-14)9-16-17(15)10-11-3-2-4-13(7-11)18(19)20/h2-9H,10H2,1H3
InChIKeyCZPKAJLBYVABDO-UHFFFAOYSA-N
XLogP3.00
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.00
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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Related Compounds

5-methoxy-1-[(3-nitrophenyl)methyl]indole
CID 116619348
[5-methoxy-1-[(3-nitrophenyl)methyl]indazol-3-yl] 2-methylpropanoate
CID 110169592
1-benzyl-5-methoxyindazole;2-benzyl-5-methoxyindazole
CID 159219786
N-[(4-methoxyphenyl)methyl]-N-[(5-nitroindazol-1-yl)methyl]cyclopropanamine
CID 31385919
1-[(6-fluoro-3-pyridinyl)methyl]-5-nitroindazole
CID 68619624
[5-methoxy-1-[(3-nitrophenyl)methyl]indazol-3-yl] 2,4,6-trifluorobenzoate
CID 110169703
1-[(2R)-2-methoxypropyl]-5-nitroindazole
CID 141387350
1-[(4-methoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine;oxalic acid
CID 17367131
1-[(3,5-dimethoxyphenyl)methyl]-4-[(3-nitrophenyl)methyl]piperazine
CID 1126227
3-bromo-5-methyl-1-[(3-nitrophenyl)methyl]pyrazole
CID 172847975
methyl 1-[(4-methoxyphenyl)methyl]indazole-5-carboxylate
CID 58244225
1-(3-methoxyphenyl)-4-[(3-nitrophenyl)methyl]piperazine
CID 782292

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-[(3-nitrophenyl)methyl]indazole?
The IUPAC name of 5-methoxy-1-[(3-nitrophenyl)methyl]indazole (CID 15429052) is 5-methoxy-1-[(3-nitrophenyl)methyl]indazole.
What is the SMILES notation for 5-methoxy-1-[(3-nitrophenyl)methyl]indazole?
The canonical SMILES for 5-methoxy-1-[(3-nitrophenyl)methyl]indazole is COc1ccc2c(cnn2Cc2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 5-methoxy-1-[(3-nitrophenyl)methyl]indazole?
The InChIKey is CZPKAJLBYVABDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-21-14-5-6-15-12(8-14)9-16-17(15)10-11-3-2-4-13(7-11)18(19)20/h2-9H,10H2,1H3.
What are the key properties of 5-methoxy-1-[(3-nitrophenyl)methyl]indazole?
5-methoxy-1-[(3-nitrophenyl)methyl]indazole has a molecular weight of 283.29 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-[(3-nitrophenyl)methyl]indazole is sourced from PubChem (CID 15429052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).