2-[[5-[2,5-bis(difluoromethoxy)phenyl]-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane

C17H21F4N3O5Si — CID 140956824

IUPAC2-[[5-[2,5-bis(difluoromethoxy)phenyl]-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc([N+](=O)[O-])c1-c1cc(OC(F)F)ccc1OC(F)F
InChIInChI=1S/C17H21F4N3O5Si/c1-30(2,3)7-6-27-10-23-15(13(9-22-23)24(25)26)12-8-11(28-16(18)19)4-5-14(12)29-17(20)21/h4-5,8-9,16-17H,6-7,10H2,1-3H3
InChIKeyDFTWAHVTNFZUKP-UHFFFAOYSA-N
MW451.45 g/mol
LogP4.97
Rot. Bonds11

About 2-[[5-[2,5-bis(difluoromethoxy)phenyl]-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-[2,5-bis(difluoromethoxy)phenyl]-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 140956824) has the molecular formula C17H21F4N3O5Si and a molecular weight of 451.45 g/mol. Its IUPAC name is 2-[[5-[2,5-bis(difluoromethoxy)phenyl]-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-[2,5-bis(difluoromethoxy)phenyl]-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID140956824
Molecular FormulaC17H21F4N3O5Si
Molecular Weight451.45 g/mol
Exact Mass451.12
IUPAC Name2-[[5-[2,5-bis(difluoromethoxy)phenyl]-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1ncc([N+](=O)[O-])c1-c1cc(OC(F)F)ccc1OC(F)F
InChIInChI=1S/C17H21F4N3O5Si/c1-30(2,3)7-6-27-10-23-15(13(9-22-23)24(25)26)12-8-11(28-16(18)19)4-5-14(12)29-17(20)21/h4-5,8-9,16-17H,6-7,10H2,1-3H3
InChIKeyDFTWAHVTNFZUKP-UHFFFAOYSA-N
XLogP4.97
TPSA88.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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'}

Analyze 2-[[5-[2,5-bis(difluoromethoxy)phenyl]-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane 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

5-(5-fluoro-2-methoxyphenyl)-4-nitro-1-(2-((trimethylsilyl)methoxy)ethyl)-1H-pyrazole
CID 66850948
1-[(4-Methoxyphenyl)methyl]-4-nitro-3-(trifluoromethyl)pyrazole
CID 118678592
5-(5-chloro-2-difluoromethoxyphenyl)-4-nitro-1-(2-trimethylsilanylethoxymethyl)-1H-pyrazole
CID 123824227
2-[5-(5-Fluoro-2-methoxyphenyl)-4-nitropyrazol-1-yl]ethoxymethyl-trimethyl-lambda4-sulfane
CID 131982982
2-[[5-[2-(Difluoromethoxy)-5-propan-2-ylsulfanylphenyl]-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140912216
2-[[5-[2-(Difluoromethoxy)-5-methylsulfanylphenyl]-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140912300
2-[[5-[5-Bromo-2-(difluoromethoxy)phenyl]-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140912303
2-[[2-[2,5-Bis(difluoromethoxy)phenyl]-3-nitropyrrol-1-yl]methoxy]ethyl-trimethylsilane
CID 140956816
5-[2,5-Bis(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
CID 140956822
2-[[5-[5-Bromo-2-(difluoromethoxy)-4-prop-1-ynylphenyl]-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153278770
(NE)-N-[[2-tert-butylsulfanyl-5-(difluoromethoxy)-4-[4-nitro-2-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]phenyl]methylidene]hydroxylamine
CID 153278771
2-[[5-[5-Chloro-2-(difluoromethoxy)-4-ethenylphenyl]-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 153278776

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[2,5-bis(difluoromethoxy)phenyl]-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-[2,5-bis(difluoromethoxy)phenyl]-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 140956824) is 2-[[5-[2,5-bis(difluoromethoxy)phenyl]-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-[2,5-bis(difluoromethoxy)phenyl]-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-[2,5-bis(difluoromethoxy)phenyl]-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1ncc([N+](=O)[O-])c1-c1cc(OC(F)F)ccc1OC(F)F.
What is the InChIKey of 2-[[5-[2,5-bis(difluoromethoxy)phenyl]-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is DFTWAHVTNFZUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F4N3O5Si/c1-30(2,3)7-6-27-10-23-15(13(9-22-23)24(25)26)12-8-11(28-16(18)19)4-5-14(12)29-17(20)21/h4-5,8-9,16-17H,6-7,10H2,1-3H3.
What are the key properties of 2-[[5-[2,5-bis(difluoromethoxy)phenyl]-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-[2,5-bis(difluoromethoxy)phenyl]-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 451.45 g/mol, XLogP of 4.97, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2,5-bis(difluoromethoxy)phenyl]-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 140956824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).