1-[5-(trifluoromethyl)-3-trimethylsilyl-1H-pyrazol-4-yl]ethanone

C9H13F3N2OSi — CID 135080622

IUPAC1-[5-(trifluoromethyl)-3-trimethylsilyl-1H-pyrazol-4-yl]ethanone
SMILESCC(=O)c1c([Si](C)(C)C)n[nH]c1C(F)(F)F
InChIInChI=1S/C9H13F3N2OSi/c1-5(15)6-7(9(10,11)12)13-14-8(6)16(2,3)4/h1-4H3,(H,13,14)
InChIKeyHKFYPFZVONFCQO-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.18
Rot. Bonds2

About 1-[5-(trifluoromethyl)-3-trimethylsilyl-1H-pyrazol-4-yl]ethanone

1-[5-(trifluoromethyl)-3-trimethylsilyl-1H-pyrazol-4-yl]ethanone (PubChem CID 135080622) has the molecular formula C9H13F3N2OSi and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-3-trimethylsilyl-1H-pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-3-trimethylsilyl-1H-pyrazol-4-yl]ethanone
PubChem CID135080622
Molecular FormulaC9H13F3N2OSi
Molecular Weight250.30 g/mol
Exact Mass250.07
IUPAC Name1-[5-(trifluoromethyl)-3-trimethylsilyl-1H-pyrazol-4-yl]ethanone
SMILESCC(=O)c1c([Si](C)(C)C)n[nH]c1C(F)(F)F
InChIInChI=1S/C9H13F3N2OSi/c1-5(15)6-7(9(10,11)12)13-14-8(6)16(2,3)4/h1-4H3,(H,13,14)
InChIKeyHKFYPFZVONFCQO-UHFFFAOYSA-N
XLogP2.18
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3,5-dimethyl-1H-pyrazol-4-yl)ethanone
CID 239664
1-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone
CID 684132
1-[3-fluoro-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone
CID 67836279
1-[3-chloro-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethanone
CID 69405212
3-(difluoromethyl)-5-(fluoromethyl)-1H-pyrazole-4-carboxamide
CID 90102522
5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
CID 121213179
5-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 126992732
3-(difluoromethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 133664642
1-[1-Amino-3-methyl-5-(trifluoromethyl)pyrazol-4-yl]ethanone
CID 174598529
1-(3,5-dimethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroethanone
CID 63753686
1-(3,5-diethyl-1H-pyrazol-4-yl)-2,2,2-trifluoroethanone
CID 82698323
2,2-difluoro-1-[5-(1,1,2,2,2-pentafluoroethyl)-3-trimethylsilyl-1H-pyrazol-4-yl]ethanone
CID 122227772

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-3-trimethylsilyl-1H-pyrazol-4-yl]ethanone?
The IUPAC name of 1-[5-(trifluoromethyl)-3-trimethylsilyl-1H-pyrazol-4-yl]ethanone (CID 135080622) is 1-[5-(trifluoromethyl)-3-trimethylsilyl-1H-pyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[5-(trifluoromethyl)-3-trimethylsilyl-1H-pyrazol-4-yl]ethanone?
The canonical SMILES for 1-[5-(trifluoromethyl)-3-trimethylsilyl-1H-pyrazol-4-yl]ethanone is CC(=O)c1c([Si](C)(C)C)n[nH]c1C(F)(F)F.
What is the InChIKey of 1-[5-(trifluoromethyl)-3-trimethylsilyl-1H-pyrazol-4-yl]ethanone?
The InChIKey is HKFYPFZVONFCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2OSi/c1-5(15)6-7(9(10,11)12)13-14-8(6)16(2,3)4/h1-4H3,(H,13,14).
What are the key properties of 1-[5-(trifluoromethyl)-3-trimethylsilyl-1H-pyrazol-4-yl]ethanone?
1-[5-(trifluoromethyl)-3-trimethylsilyl-1H-pyrazol-4-yl]ethanone has a molecular weight of 250.30 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-3-trimethylsilyl-1H-pyrazol-4-yl]ethanone is sourced from PubChem (CID 135080622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).