5-[5-bromo-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine

C16H22BrF2N3O2Si — CID 140912288

IUPAC5-[5-bromo-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
SMILESC[Si](C)(C)CCOCn1ncc(N)c1-c1cc(Br)ccc1OC(F)F
InChIInChI=1S/C16H22BrF2N3O2Si/c1-25(2,3)7-6-23-10-22-15(13(20)9-21-22)12-8-11(17)4-5-14(12)24-16(18)19/h4-5,8-9,16H,6-7,10,20H2,1-3H3
InChIKeyCOCCUYFXMKIKNI-UHFFFAOYSA-N
MW434.36 g/mol
LogP4.81
Rot. Bonds8

About 5-[5-bromo-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine

5-[5-bromo-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine (PubChem CID 140912288) has the molecular formula C16H22BrF2N3O2Si and a molecular weight of 434.36 g/mol. Its IUPAC name is 5-[5-bromo-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine.

Molecular Properties

Compound Name5-[5-bromo-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
PubChem CID140912288
Molecular FormulaC16H22BrF2N3O2Si
Molecular Weight434.36 g/mol
Exact Mass433.06
IUPAC Name5-[5-bromo-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
SMILESC[Si](C)(C)CCOCn1ncc(N)c1-c1cc(Br)ccc1OC(F)F
InChIInChI=1S/C16H22BrF2N3O2Si/c1-25(2,3)7-6-23-10-22-15(13(20)9-21-22)12-8-11(17)4-5-14(12)24-16(18)19/h4-5,8-9,16H,6-7,10,20H2,1-3H3
InChIKeyCOCCUYFXMKIKNI-UHFFFAOYSA-N
XLogP4.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.36
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Benzyl-3-(5-bromo-2-methoxyphenyl)pyrazole
CID 155517362
3-(5-Bromo-2-methoxyphenyl)-1-prop-2-enylpyrazole
CID 155568079
5-(5-fluoro-2-methoxyphenyl)-1-(2-((trimethylsilyl)methoxy)ethyl)-1H-pyrazol-4-amine
CID 66850698
3-(4-Bromo-2-methylpyrazol-3-yl)-4-(trifluoromethoxy)aniline
CID 87857874
5-(5-chloro-2-difluoromethoxyphenyl)-1-(2-trimethylsilanyl-ethoxymethyl)-1H-pyrazol-4-ylamine
CID 123143092
5-[5-bromo-2-(difluoromethoxy)phenyl]-1H-pyrazol-4-amine
CID 130358930
5-[2-(Difluoromethoxy)-5-methylsulfanylphenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
CID 140912287
2-[[5-[5-Bromo-2-(difluoromethoxy)phenyl]-4-nitropyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140912303
5-[2,5-Bis(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
CID 140956822
1-[[5-Bromo-2-[[1-(trifluoromethyl)cyclopentyl]methoxy]phenyl]methyl]-5-methylpyrazole
CID 141409305
1-[[5-Bromo-2-[[1-(trifluoromethyl)cyclobutyl]methoxy]phenyl]methyl]-5-methylpyrazole
CID 141409315
5-[5-Bromo-4-chloro-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine
CID 142622240

Frequently Asked Questions

What is the IUPAC name of 5-[5-bromo-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
The IUPAC name of 5-[5-bromo-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine (CID 140912288) is 5-[5-bromo-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine.
What is the SMILES notation for 5-[5-bromo-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
The canonical SMILES for 5-[5-bromo-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine is C[Si](C)(C)CCOCn1ncc(N)c1-c1cc(Br)ccc1OC(F)F.
What is the InChIKey of 5-[5-bromo-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
The InChIKey is COCCUYFXMKIKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrF2N3O2Si/c1-25(2,3)7-6-23-10-22-15(13(20)9-21-22)12-8-11(17)4-5-14(12)24-16(18)19/h4-5,8-9,16H,6-7,10,20H2,1-3H3.
What are the key properties of 5-[5-bromo-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine?
5-[5-bromo-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine has a molecular weight of 434.36 g/mol, XLogP of 4.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-bromo-2-(difluoromethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)pyrazol-4-amine is sourced from PubChem (CID 140912288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).