1-(3-ethoxypropyl)-3-methyl-5-nitroindazole

C13H17N3O3 — CID 71916330

IUPAC1-(3-ethoxypropyl)-3-methyl-5-nitroindazole
SMILESCCOCCCn1nc(C)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C13H17N3O3/c1-3-19-8-4-7-15-13-6-5-11(16(17)18)9-12(13)10(2)14-15/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyZMOUBDRZPMCXBS-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.68
Rot. Bonds6

About 1-(3-ethoxypropyl)-3-methyl-5-nitroindazole

1-(3-ethoxypropyl)-3-methyl-5-nitroindazole (PubChem CID 71916330) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-methyl-5-nitroindazole.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-methyl-5-nitroindazole
PubChem CID71916330
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(3-ethoxypropyl)-3-methyl-5-nitroindazole
SMILESCCOCCCn1nc(C)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C13H17N3O3/c1-3-19-8-4-7-15-13-6-5-11(16(17)18)9-12(13)10(2)14-15/h5-6,9H,3-4,7-8H2,1-2H3
InChIKeyZMOUBDRZPMCXBS-UHFFFAOYSA-N
XLogP2.68
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;ethyl hypofluorite;3-methyl-6-nitro-1-propylindazole
CID 143224235
1-(2-methoxyethyl)-3-methylindazol-5-amine;1-(2-methoxyethyl)-3-methyl-5-nitroindazole;3-methyl-5-nitro-2H-indazole
CID 158522525
3-(3-methoxy-5-nitroindazol-1-yl)-N,N-dimethylpropan-1-amine
CID 46228354
5-[(3-methyl-5-nitroindazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 126798761
2-(3-methoxy-5-nitroindazol-1-yl)-N,N-dimethylethanamine
CID 46228355
N-[2-(3-methoxy-5-nitroindazol-1-yl)ethyl]-N-propan-2-ylpropan-2-amine
CID 46228401
ethane;1-(1-ethoxypropyl)-3-methyl-6-nitroindazole
CID 143224205
2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane
CID 155574757
1-[[2-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]methyl]-3-methyl-5-nitroindazole
CID 126814575
3-iodo-1-(2-methoxyethoxymethyl)-5-nitroindazole
CID 22147941
trimethyl-[2-[[5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 147395675
9-[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]-3-nitrocarbazole
CID 138505630

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-methyl-5-nitroindazole?
The IUPAC name of 1-(3-ethoxypropyl)-3-methyl-5-nitroindazole (CID 71916330) is 1-(3-ethoxypropyl)-3-methyl-5-nitroindazole.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-methyl-5-nitroindazole?
The canonical SMILES for 1-(3-ethoxypropyl)-3-methyl-5-nitroindazole is CCOCCCn1nc(C)c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 1-(3-ethoxypropyl)-3-methyl-5-nitroindazole?
The InChIKey is ZMOUBDRZPMCXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-3-19-8-4-7-15-13-6-5-11(16(17)18)9-12(13)10(2)14-15/h5-6,9H,3-4,7-8H2,1-2H3.
What are the key properties of 1-(3-ethoxypropyl)-3-methyl-5-nitroindazole?
1-(3-ethoxypropyl)-3-methyl-5-nitroindazole has a molecular weight of 263.30 g/mol, XLogP of 2.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-methyl-5-nitroindazole is sourced from PubChem (CID 71916330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).