[1-(2-methoxyethyl)indazol-3-yl]-(2-nitrophenyl)methanone

C17H15N3O4 — CID 170857621

IUPAC[1-(2-methoxyethyl)indazol-3-yl]-(2-nitrophenyl)methanone
SMILESCOCCn1nc(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc21
InChIInChI=1S/C17H15N3O4/c1-24-11-10-19-14-8-4-2-6-12(14)16(18-19)17(21)13-7-3-5-9-15(13)20(22)23/h2-9H,10-11H2,1H3
InChIKeyRABKLUGYGUDHCC-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.82
Rot. Bonds6

About [1-(2-methoxyethyl)indazol-3-yl]-(2-nitrophenyl)methanone

[1-(2-methoxyethyl)indazol-3-yl]-(2-nitrophenyl)methanone (PubChem CID 170857621) has the molecular formula C17H15N3O4 and a molecular weight of 325.32 g/mol. Its IUPAC name is [1-(2-methoxyethyl)indazol-3-yl]-(2-nitrophenyl)methanone.

Molecular Properties

Compound Name[1-(2-methoxyethyl)indazol-3-yl]-(2-nitrophenyl)methanone
PubChem CID170857621
Molecular FormulaC17H15N3O4
Molecular Weight325.32 g/mol
Exact Mass325.11
IUPAC Name[1-(2-methoxyethyl)indazol-3-yl]-(2-nitrophenyl)methanone
SMILESCOCCn1nc(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc21
InChIInChI=1S/C17H15N3O4/c1-24-11-10-19-14-8-4-2-6-12(14)16(18-19)17(21)13-7-3-5-9-15(13)20(22)23/h2-9H,10-11H2,1H3
InChIKeyRABKLUGYGUDHCC-UHFFFAOYSA-N
XLogP2.82
TPSA87.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.82
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

methyl 1-(3-methoxypropyl)indazole-3-carboxylate
CID 68501253
ethyl 1-(3-methoxypropyl)indazole-3-carboxylate
CID 90286417
naphthalen-1-yl-(2-nitrophenyl)methanone
CID 22366378
methyl 1-methyl-4-[(2-nitrobenzoyl)amino]pyrazole-3-carboxylate
CID 19341428
1-(2-methoxyethyl)-4-nitroindole-3-carboxylic acid
CID 67255308
methyl 2-(2-nitrobenzoyl)benzoate
CID 174908464
ethane;(2-nitrophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 11024465
4-bromo-1-(2-methoxyethyl)-5-nitroindazole
CID 168988283
N-[6-methoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide
CID 5157855
methyl 1-(3-cyanopropyl)indazole-3-carboxylate
CID 68892890
methyl 1-(2-methylpropyl)indazole-3-carboxylate
CID 10489745
N-(1-methyl-4-oxoquinolin-3-yl)-2-nitrobenzamide
CID 53359987

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyethyl)indazol-3-yl]-(2-nitrophenyl)methanone?
The IUPAC name of [1-(2-methoxyethyl)indazol-3-yl]-(2-nitrophenyl)methanone (CID 170857621) is [1-(2-methoxyethyl)indazol-3-yl]-(2-nitrophenyl)methanone.
What is the SMILES notation for [1-(2-methoxyethyl)indazol-3-yl]-(2-nitrophenyl)methanone?
The canonical SMILES for [1-(2-methoxyethyl)indazol-3-yl]-(2-nitrophenyl)methanone is COCCn1nc(C(=O)c2ccccc2[N+](=O)[O-])c2ccccc21.
What is the InChIKey of [1-(2-methoxyethyl)indazol-3-yl]-(2-nitrophenyl)methanone?
The InChIKey is RABKLUGYGUDHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O4/c1-24-11-10-19-14-8-4-2-6-12(14)16(18-19)17(21)13-7-3-5-9-15(13)20(22)23/h2-9H,10-11H2,1H3.
What are the key properties of [1-(2-methoxyethyl)indazol-3-yl]-(2-nitrophenyl)methanone?
[1-(2-methoxyethyl)indazol-3-yl]-(2-nitrophenyl)methanone has a molecular weight of 325.32 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyethyl)indazol-3-yl]-(2-nitrophenyl)methanone is sourced from PubChem (CID 170857621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).