2-[[6-(difluoromethoxy)-5-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane

C23H35F2N5O5Si2 — CID 153278813

IUPAC2-[[6-(difluoromethoxy)-5-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc([N+](=O)[O-])c1-c1cc2cnn(COCC[Si](C)(C)C)c2cc1OC(F)F
InChIInChI=1S/C23H35F2N5O5Si2/c1-36(2,3)9-7-33-15-28-19-12-21(35-23(24)25)18(11-17(19)13-26-28)22-20(30(31)32)14-27-29(22)16-34-8-10-37(4,5)6/h11-14,23H,7-10,15-16H2,1-6H3
InChIKeyBTNWGSUJKPMPAO-UHFFFAOYSA-N
MW555.73 g/mol
LogP6.03
Rot. Bonds14

About 2-[[6-(difluoromethoxy)-5-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-(difluoromethoxy)-5-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 153278813) has the molecular formula C23H35F2N5O5Si2 and a molecular weight of 555.73 g/mol. Its IUPAC name is 2-[[6-(difluoromethoxy)-5-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-(difluoromethoxy)-5-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID153278813
Molecular FormulaC23H35F2N5O5Si2
Molecular Weight555.73 g/mol
Exact Mass555.21
IUPAC Name2-[[6-(difluoromethoxy)-5-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc([N+](=O)[O-])c1-c1cc2cnn(COCC[Si](C)(C)C)c2cc1OC(F)F
InChIInChI=1S/C23H35F2N5O5Si2/c1-36(2,3)9-7-33-15-28-19-12-21(35-23(24)25)18(11-17(19)13-26-28)22-20(30(31)32)14-27-29(22)16-34-8-10-37(4,5)6/h11-14,23H,7-10,15-16H2,1-6H3
InChIKeyBTNWGSUJKPMPAO-UHFFFAOYSA-N
XLogP6.03
TPSA106.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.73
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(difluoromethoxy)-5-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-(difluoromethoxy)-5-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 153278813) is 2-[[6-(difluoromethoxy)-5-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-(difluoromethoxy)-5-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-(difluoromethoxy)-5-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ncc([N+](=O)[O-])c1-c1cc2cnn(COCC[Si](C)(C)C)c2cc1OC(F)F.
What is the InChIKey of 2-[[6-(difluoromethoxy)-5-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is BTNWGSUJKPMPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35F2N5O5Si2/c1-36(2,3)9-7-33-15-28-19-12-21(35-23(24)25)18(11-17(19)13-26-28)22-20(30(31)32)14-27-29(22)16-34-8-10-37(4,5)6/h11-14,23H,7-10,15-16H2,1-6H3.
What are the key properties of 2-[[6-(difluoromethoxy)-5-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[6-(difluoromethoxy)-5-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 555.73 g/mol, XLogP of 6.03, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(difluoromethoxy)-5-[4-nitro-1-(2-trimethylsilylethoxymethyl)pyrazol-5-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 153278813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).