3-ethyl-1-(2-methoxyethyl)indazol-5-amine;3-ethyl-1-(2-methoxyethyl)-5-nitroindazole;3-ethyl-5-nitro-2H-indazole

C33H41N9O6 — CID 157436347

IUPAC3-ethyl-1-(2-methoxyethyl)indazol-5-amine;3-ethyl-1-(2-methoxyethyl)-5-nitroindazole;3-ethyl-5-nitro-2H-indazole
SMILESCCc1[nH]nc2ccc([N+](=O)[O-])cc12.CCc1nn(CCOC)c2ccc(N)cc12.CCc1nn(CCOC)c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C12H15N3O3.C12H17N3O.C9H9N3O2/c1-3-11-10-8-9(15(16)17)4-5-12(10)14(13-11)6-7-18-2;1-3-11-10-8-9(13)4-5-12(10)15(14-11)6-7-16-2;1-2-8-7-5-6(12(13)14)3-4-9(7)11-10-8/h4-5,8H,3,6-7H2,1-2H3;4-5,8H,3,6-7,13H2,1-2H3;3-5H,2H2,1H3,(H,10,11)
InChIKeyBRDNODDFNOQSRF-UHFFFAOYSA-N
MW659.75 g/mol
LogP6.01
Rot. Bonds11

About 3-ethyl-1-(2-methoxyethyl)indazol-5-amine;3-ethyl-1-(2-methoxyethyl)-5-nitroindazole;3-ethyl-5-nitro-2H-indazole

3-ethyl-1-(2-methoxyethyl)indazol-5-amine;3-ethyl-1-(2-methoxyethyl)-5-nitroindazole;3-ethyl-5-nitro-2H-indazole (PubChem CID 157436347) has the molecular formula C33H41N9O6 and a molecular weight of 659.75 g/mol. Its IUPAC name is 3-ethyl-1-(2-methoxyethyl)indazol-5-amine;3-ethyl-1-(2-methoxyethyl)-5-nitroindazole;3-ethyl-5-nitro-2H-indazole.

Molecular Properties

Compound Name3-ethyl-1-(2-methoxyethyl)indazol-5-amine;3-ethyl-1-(2-methoxyethyl)-5-nitroindazole;3-ethyl-5-nitro-2H-indazole
PubChem CID157436347
Molecular FormulaC33H41N9O6
Molecular Weight659.75 g/mol
Exact Mass659.32
IUPAC Name3-ethyl-1-(2-methoxyethyl)indazol-5-amine;3-ethyl-1-(2-methoxyethyl)-5-nitroindazole;3-ethyl-5-nitro-2H-indazole
SMILESCCc1[nH]nc2ccc([N+](=O)[O-])cc12.CCc1nn(CCOC)c2ccc(N)cc12.CCc1nn(CCOC)c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C12H15N3O3.C12H17N3O.C9H9N3O2/c1-3-11-10-8-9(15(16)17)4-5-12(10)14(13-11)6-7-18-2;1-3-11-10-8-9(13)4-5-12(10)15(14-11)6-7-16-2;1-2-8-7-5-6(12(13)14)3-4-9(7)11-10-8/h4-5,8H,3,6-7H2,1-2H3;4-5,8H,3,6-7,13H2,1-2H3;3-5H,2H2,1H3,(H,10,11)
InChIKeyBRDNODDFNOQSRF-UHFFFAOYSA-N
XLogP6.01
TPSA195.08 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500659.75
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 3-ethyl-1-(2-methoxyethyl)indazol-5-amine;3-ethyl-1-(2-methoxyethyl)-5-nitroindazole;3-ethyl-5-nitro-2H-indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-difluoroethanol;1-(2,2-difluoroethyl)indazol-5-amine;1-(2,2-difluoroethyl)-5-nitroindazole;2,2-difluoroethyl trifluoromethanesulfonate;5-nitro-1H-indazole
CID 161141028
3-[(E)-2-(1H-indazol-3-yl)ethenyl]-N-(2-methoxyethyl)-N-(2-morpholin-4-ylethyl)-4-nitroaniline
CID 69001955
3-[2-(1H-indazol-3-yl)ethenyl]-N-(2-methoxyethyl)-N-(2-morpholin-4-ylethyl)-4-nitroaniline
CID 69001958
4-[3-[(E)-2-(1H-indazol-3-yl)ethenyl]-4-nitrophenyl]morpholine
CID 69002914
3-{2-[5-(morpholin-4-yl)-2-nitrophenyl]vinyl}-1H-indazole
CID 69002915
1-Benzyl-3-methylindazol-5-amine;1-benzyl-3-methyl-5-nitroindazole
CID 70283792
2-benzyl-5-nitroindazole;5-nitro-1H-indazole
CID 88334786
ethane;iodoethane;5-nitro-1H-indazole;1,1,1-triiodoethane;trimethyl-[2-[(5-nitroindazol-2-yl)methoxy]ethyl]silane;2-(2-trimethylsilylethoxymethyl)indazol-5-amine
CID 157248506
1-ethyl-3-fluorobenzene;1-[(3-fluorophenyl)methyl]indazol-5-amine;1-[(3-fluorophenyl)methyl]-5-nitroindazole;5-nitro-1H-indazole
CID 157270317
dichloromethane;ethyl acetate;5-nitro-1H-indazole;5-nitro-1-(oxan-2-yl)indazole;1-(oxan-2-yl)indazol-5-amine
CID 157295501
5-methyl-3-(4-methyl-3-nitrophenyl)-1-propylpyrazole;5-methyl-3-(4-methyl-3-nitrophenyl)-1H-pyrazole;2-methyl-5-(5-methyl-1-propylpyrazol-3-yl)aniline
CID 157333565
1-Benzylindazol-5-amine;1-benzyl-5-nitroindazole;methoxymethane
CID 157572210

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methoxyethyl)indazol-5-amine;3-ethyl-1-(2-methoxyethyl)-5-nitroindazole;3-ethyl-5-nitro-2H-indazole?
The IUPAC name of 3-ethyl-1-(2-methoxyethyl)indazol-5-amine;3-ethyl-1-(2-methoxyethyl)-5-nitroindazole;3-ethyl-5-nitro-2H-indazole (CID 157436347) is 3-ethyl-1-(2-methoxyethyl)indazol-5-amine;3-ethyl-1-(2-methoxyethyl)-5-nitroindazole;3-ethyl-5-nitro-2H-indazole.
What is the SMILES notation for 3-ethyl-1-(2-methoxyethyl)indazol-5-amine;3-ethyl-1-(2-methoxyethyl)-5-nitroindazole;3-ethyl-5-nitro-2H-indazole?
The canonical SMILES for 3-ethyl-1-(2-methoxyethyl)indazol-5-amine;3-ethyl-1-(2-methoxyethyl)-5-nitroindazole;3-ethyl-5-nitro-2H-indazole is CCc1[nH]nc2ccc([N+](=O)[O-])cc12.CCc1nn(CCOC)c2ccc(N)cc12.CCc1nn(CCOC)c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 3-ethyl-1-(2-methoxyethyl)indazol-5-amine;3-ethyl-1-(2-methoxyethyl)-5-nitroindazole;3-ethyl-5-nitro-2H-indazole?
The InChIKey is BRDNODDFNOQSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3.C12H17N3O.C9H9N3O2/c1-3-11-10-8-9(15(16)17)4-5-12(10)14(13-11)6-7-18-2;1-3-11-10-8-9(13)4-5-12(10)15(14-11)6-7-16-2;1-2-8-7-5-6(12(13)14)3-4-9(7)11-10-8/h4-5,8H,3,6-7H2,1-2H3;4-5,8H,3,6-7,13H2,1-2H3;3-5H,2H2,1H3,(H,10,11).
What are the key properties of 3-ethyl-1-(2-methoxyethyl)indazol-5-amine;3-ethyl-1-(2-methoxyethyl)-5-nitroindazole;3-ethyl-5-nitro-2H-indazole?
3-ethyl-1-(2-methoxyethyl)indazol-5-amine;3-ethyl-1-(2-methoxyethyl)-5-nitroindazole;3-ethyl-5-nitro-2H-indazole has a molecular weight of 659.75 g/mol, XLogP of 6.01, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methoxyethyl)indazol-5-amine;3-ethyl-1-(2-methoxyethyl)-5-nitroindazole;3-ethyl-5-nitro-2H-indazole is sourced from PubChem (CID 157436347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).