ethane;1-(1-ethoxypropyl)-3-methyl-6-nitroindazole

C15H23N3O3 — CID 143224205

IUPACethane;1-(1-ethoxypropyl)-3-methyl-6-nitroindazole
SMILESCC.CCOC(CC)n1nc(C)c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C13H17N3O3.C2H6/c1-4-13(19-5-2)15-12-8-10(16(17)18)6-7-11(12)9(3)14-15;1-2/h6-8,13H,4-5H2,1-3H3;1-2H3
InChIKeyZWFQUTKOYVFIGL-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.22
Rot. Bonds5

About ethane;1-(1-ethoxypropyl)-3-methyl-6-nitroindazole

ethane;1-(1-ethoxypropyl)-3-methyl-6-nitroindazole (PubChem CID 143224205) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethane;1-(1-ethoxypropyl)-3-methyl-6-nitroindazole.

Molecular Properties

Compound Nameethane;1-(1-ethoxypropyl)-3-methyl-6-nitroindazole
PubChem CID143224205
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethane;1-(1-ethoxypropyl)-3-methyl-6-nitroindazole
SMILESCC.CCOC(CC)n1nc(C)c2ccc([N+](=O)[O-])cc21
InChIInChI=1S/C13H17N3O3.C2H6/c1-4-13(19-5-2)15-12-8-10(16(17)18)6-7-11(12)9(3)14-15;1-2/h6-8,13H,4-5H2,1-3H3;1-2H3
InChIKeyZWFQUTKOYVFIGL-UHFFFAOYSA-N
XLogP4.22
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.22
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

ethane;ethyl hypofluorite;3-methyl-6-nitro-1-propylindazole
CID 143224235
1-(3-ethoxypropyl)-3-methyl-5-nitroindazole
CID 71916330
3-methyl-1-[(3-methylindazol-1-yl)-(4-nitrophenyl)methyl]indazole
CID 14962540
ethyl 2-fluoro-2-(6-nitroindazol-1-yl)acetate
CID 81296546
1-(3-iodo-6-nitroindazol-1-yl)hexan-1-ol
CID 163574027
3-methyl-1-(2-methyloxan-2-yl)-6-nitroindazole
CID 71192528
tert-butyl 3-chloro-6-nitroindazole-1-carboxylate
CID 18373242
2-(2,2-diethoxyethoxy)-1-methyl-4-nitrobenzene
CID 15480471
1-(6-nitroindazol-1-yl)butan-2-ol
CID 60884485
9-[ethoxy-(3-nitrophenyl)methyl]carbazole
CID 3773298
1-ethyl-3,4-dimethoxy-7-nitroquinolin-2-one
CID 21217745
3-methoxy-4-(methoxymethoxy)-1-methyl-7-nitroquinolin-2-one
CID 23300226

Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-ethoxypropyl)-3-methyl-6-nitroindazole?
The IUPAC name of ethane;1-(1-ethoxypropyl)-3-methyl-6-nitroindazole (CID 143224205) is ethane;1-(1-ethoxypropyl)-3-methyl-6-nitroindazole.
What is the SMILES notation for ethane;1-(1-ethoxypropyl)-3-methyl-6-nitroindazole?
The canonical SMILES for ethane;1-(1-ethoxypropyl)-3-methyl-6-nitroindazole is CC.CCOC(CC)n1nc(C)c2ccc([N+](=O)[O-])cc21.
What is the InChIKey of ethane;1-(1-ethoxypropyl)-3-methyl-6-nitroindazole?
The InChIKey is ZWFQUTKOYVFIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3.C2H6/c1-4-13(19-5-2)15-12-8-10(16(17)18)6-7-11(12)9(3)14-15;1-2/h6-8,13H,4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;1-(1-ethoxypropyl)-3-methyl-6-nitroindazole?
ethane;1-(1-ethoxypropyl)-3-methyl-6-nitroindazole has a molecular weight of 293.37 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-ethoxypropyl)-3-methyl-6-nitroindazole is sourced from PubChem (CID 143224205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).