trimethyl-[2-[[3-(3-nitrophenyl)indazol-1-yl]methoxy]ethyl]silane

C19H23N3O3Si — CID 175982890

IUPACtrimethyl-[2-[[3-(3-nitrophenyl)indazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc21
InChIInChI=1S/C19H23N3O3Si/c1-26(2,3)12-11-25-14-21-18-10-5-4-9-17(18)19(20-21)15-7-6-8-16(13-15)22(23)24/h4-10,13H,11-12,14H2,1-3H3
InChIKeyAPTZEUDNAUDXSU-UHFFFAOYSA-N
MW369.50 g/mol
LogP4.92
Rot. Bonds7

About trimethyl-[2-[[3-(3-nitrophenyl)indazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[3-(3-nitrophenyl)indazol-1-yl]methoxy]ethyl]silane (PubChem CID 175982890) has the molecular formula C19H23N3O3Si and a molecular weight of 369.50 g/mol. Its IUPAC name is trimethyl-[2-[[3-(3-nitrophenyl)indazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[3-(3-nitrophenyl)indazol-1-yl]methoxy]ethyl]silane
PubChem CID175982890
Molecular FormulaC19H23N3O3Si
Molecular Weight369.50 g/mol
Exact Mass369.15
IUPAC Nametrimethyl-[2-[[3-(3-nitrophenyl)indazol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc21
InChIInChI=1S/C19H23N3O3Si/c1-26(2,3)12-11-25-14-21-18-10-5-4-9-17(18)19(20-21)15-7-6-8-16(13-15)22(23)24/h4-10,13H,11-12,14H2,1-3H3
InChIKeyAPTZEUDNAUDXSU-UHFFFAOYSA-N
XLogP4.92
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.50
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', '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

trimethyl-[2-[(5-nitro-3-pyridin-4-ylindazol-1-yl)methoxy]ethyl]silane
CID 68672964
4-cyano-N-[3-(3-nitrophenyl)-1-(2-trimethylsilylethoxymethyl)indazol-5-yl]benzamide
CID 170562660
trimethyl-[2-[[5-nitro-3-(1,3-oxazol-5-yl)indazol-1-yl]methoxy]ethyl]silane
CID 168728003
trimethyl-[2-[[5-nitro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]methoxy]ethyl]silane
CID 147395675
trimethyl-[2-[(10-nitro-21-azapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8(13),9,11,15,17,19-decaen-21-yl)methoxy]ethyl]silane
CID 71497092
trimethyl-[2-[[5-(2-methylphenyl)-3-phenylindazol-1-yl]methoxy]ethyl]silane
CID 22352427
1-(2-trimethylsilylethoxymethyl)indazole-3-carbaldehyde
CID 22486277
2-[[3-(1-ethoxyethenyl)-5-nitroindazol-1-yl]methoxy]ethyl-trimethylsilane
CID 155574757
2-[(3-isocyano-5-nitroindazol-1-yl)methoxy]ethyl-trimethylsilane;3-isocyano-1-(2-trimethylsilylethoxymethyl)indazol-5-amine
CID 160667224
3-(4-fluorophenyl)-1-(2-methoxyethoxymethyl)-5-nitroindazole
CID 22479987
2-[[3-(4-methoxyphenyl)-5-(4-nitrophenyl)pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 166110620
2-[[3-(1H-benzimidazol-2-yl)indazol-1-yl]methoxy]ethyl-trimethylsilane
CID 141075677

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[3-(3-nitrophenyl)indazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[3-(3-nitrophenyl)indazol-1-yl]methoxy]ethyl]silane (CID 175982890) is trimethyl-[2-[[3-(3-nitrophenyl)indazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[3-(3-nitrophenyl)indazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[3-(3-nitrophenyl)indazol-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc21.
What is the InChIKey of trimethyl-[2-[[3-(3-nitrophenyl)indazol-1-yl]methoxy]ethyl]silane?
The InChIKey is APTZEUDNAUDXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3Si/c1-26(2,3)12-11-25-14-21-18-10-5-4-9-17(18)19(20-21)15-7-6-8-16(13-15)22(23)24/h4-10,13H,11-12,14H2,1-3H3.
What are the key properties of trimethyl-[2-[[3-(3-nitrophenyl)indazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[3-(3-nitrophenyl)indazol-1-yl]methoxy]ethyl]silane has a molecular weight of 369.50 g/mol, XLogP of 4.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[3-(3-nitrophenyl)indazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 175982890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).