2,3-difluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline

C15H21F2N3OSi — CID 171118395

IUPAC2,3-difluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline
SMILESC[Si](C)(C)CCOCn1cc(-c2ccc(N)c(F)c2F)cn1
InChIInChI=1S/C15H21F2N3OSi/c1-22(2,3)7-6-21-10-20-9-11(8-19-20)12-4-5-13(18)15(17)14(12)16/h4-5,8-9H,6-7,10,18H2,1-3H3
InChIKeyHVVYHNLIYZUTDE-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.72
Rot. Bonds6

About 2,3-difluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline

2,3-difluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline (PubChem CID 171118395) has the molecular formula C15H21F2N3OSi and a molecular weight of 325.44 g/mol. Its IUPAC name is 2,3-difluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline.

Molecular Properties

Compound Name2,3-difluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline
PubChem CID171118395
Molecular FormulaC15H21F2N3OSi
Molecular Weight325.44 g/mol
Exact Mass325.14
IUPAC Name2,3-difluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline
SMILESC[Si](C)(C)CCOCn1cc(-c2ccc(N)c(F)c2F)cn1
InChIInChI=1S/C15H21F2N3OSi/c1-22(2,3)7-6-21-10-20-9-11(8-19-20)12-4-5-13(18)15(17)14(12)16/h4-5,8-9H,6-7,10,18H2,1-3H3
InChIKeyHVVYHNLIYZUTDE-UHFFFAOYSA-N
XLogP3.72
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(4-fluoro-2-methoxyphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140810657
trimethyl-[2-[[4-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 140810693
3-chloro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]benzonitrile
CID 172914739
trimethyl-[2-[[4-(2-methylquinolin-4-yl)pyrazol-1-yl]methoxy]ethyl]silane
CID 167445677
1-(2-trimethylsilylethoxymethyl)pyrazol-4-ol
CID 90030095
2-[[4-(5-bromo-1H-indol-3-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 145066845
2-[[4-[4-chloro-3-(difluoromethoxy)phenyl]pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140810700
3-fluoro-4-[3-fluoro-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline
CID 177157501
4-(1-butylpyrazol-4-yl)-3-fluoro-2-methylaniline
CID 171906285
2-[5-bromo-3-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]indol-1-yl]ethanol
CID 145066841
2-[[4-(6-chloropyrazolo[1,5-a]pyrazin-4-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 174064420
2-[[4-(3-cyclopropylphenyl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
CID 140810687

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline?
The IUPAC name of 2,3-difluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline (CID 171118395) is 2,3-difluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline.
What is the SMILES notation for 2,3-difluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline?
The canonical SMILES for 2,3-difluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline is C[Si](C)(C)CCOCn1cc(-c2ccc(N)c(F)c2F)cn1.
What is the InChIKey of 2,3-difluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline?
The InChIKey is HVVYHNLIYZUTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3OSi/c1-22(2,3)7-6-21-10-20-9-11(8-19-20)12-4-5-13(18)15(17)14(12)16/h4-5,8-9H,6-7,10,18H2,1-3H3.
What are the key properties of 2,3-difluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline?
2,3-difluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline has a molecular weight of 325.44 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]aniline is sourced from PubChem (CID 171118395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).