1-(1-phenyl-3-trimethylsilylpyrazol-4-yl)ethanone

C14H18N2OSi — CID 15984451

IUPAC1-(1-phenyl-3-trimethylsilylpyrazol-4-yl)ethanone
SMILESCC(=O)c1cn(-c2ccccc2)nc1[Si](C)(C)C
InChIInChI=1S/C14H18N2OSi/c1-11(17)13-10-16(12-8-6-5-7-9-12)15-14(13)18(2,3)4/h5-10H,1-4H3
InChIKeyOKIRAIMVTSDWDD-UHFFFAOYSA-N
MW258.40 g/mol
LogP2.62
Rot. Bonds3

About 1-(1-phenyl-3-trimethylsilylpyrazol-4-yl)ethanone

1-(1-phenyl-3-trimethylsilylpyrazol-4-yl)ethanone (PubChem CID 15984451) has the molecular formula C14H18N2OSi and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-(1-phenyl-3-trimethylsilylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-phenyl-3-trimethylsilylpyrazol-4-yl)ethanone
PubChem CID15984451
Molecular FormulaC14H18N2OSi
Molecular Weight258.40 g/mol
Exact Mass258.12
IUPAC Name1-(1-phenyl-3-trimethylsilylpyrazol-4-yl)ethanone
SMILESCC(=O)c1cn(-c2ccccc2)nc1[Si](C)(C)C
InChIInChI=1S/C14H18N2OSi/c1-11(17)13-10-16(12-8-6-5-7-9-12)15-14(13)18(2,3)4/h5-10H,1-4H3
InChIKeyOKIRAIMVTSDWDD-UHFFFAOYSA-N
XLogP2.62
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(benzhydrylideneamino)-1-phenylpyrazol-4-yl]ethanone
CID 135209235
1-(3-acetyl-1-phenylpyrazol-4-yl)propan-1-one
CID 71418103
1-[4-(naphthalene-1-carbonyl)-1-phenylpyrazol-3-yl]ethanone
CID 45034404
dimethyl 1-phenylpyrazole-3,4-dicarboxylate
CID 648745
1-[3-[(4-fluorophenyl)methylamino]-1-phenylpyrazol-4-yl]ethanone
CID 142770595
2-(1,3-diphenylpyrazol-4-yl)prop-2-enoic acid
CID 69067763
3-methylsulfanyl-N,1-diphenylpyrazole-4-carboxamide
CID 2822576
N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31130909
1-(4-nitro-1-phenylpyrazol-3-yl)ethanone
CID 58234886
3-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]-1-phenylpyrazole-4-carboxylic acid
CID 135736470
3-[methyl-(3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 119232920
3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2360724

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenyl-3-trimethylsilylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(1-phenyl-3-trimethylsilylpyrazol-4-yl)ethanone (CID 15984451) is 1-(1-phenyl-3-trimethylsilylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(1-phenyl-3-trimethylsilylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(1-phenyl-3-trimethylsilylpyrazol-4-yl)ethanone is CC(=O)c1cn(-c2ccccc2)nc1[Si](C)(C)C.
What is the InChIKey of 1-(1-phenyl-3-trimethylsilylpyrazol-4-yl)ethanone?
The InChIKey is OKIRAIMVTSDWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OSi/c1-11(17)13-10-16(12-8-6-5-7-9-12)15-14(13)18(2,3)4/h5-10H,1-4H3.
What are the key properties of 1-(1-phenyl-3-trimethylsilylpyrazol-4-yl)ethanone?
1-(1-phenyl-3-trimethylsilylpyrazol-4-yl)ethanone has a molecular weight of 258.40 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyl-3-trimethylsilylpyrazol-4-yl)ethanone is sourced from PubChem (CID 15984451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).