1-[(3S,4S)-2-[tert-butyl(diphenyl)silyl]-3-trimethylsilyl-3,4-dihydropyrazol-4-yl]ethanone

C24H34N2OSi2 — CID 102145623

IUPAC1-[(3S,4S)-2-[tert-butyl(diphenyl)silyl]-3-trimethylsilyl-3,4-dihydropyrazol-4-yl]ethanone
SMILESCC(=O)[C@@H]1C=NN([Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1[Si](C)(C)C
InChIInChI=1S/C24H34N2OSi2/c1-19(27)22-18-25-26(23(22)28(5,6)7)29(24(2,3)4,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-18,22-23H,1-7H3/t22-,23-/m0/s1
InChIKeyFFIVZWWODCVXPL-GOTSBHOMSA-N
MW422.72 g/mol
LogP4.30
Rot. Bonds5

About 1-[(3S,4S)-2-[tert-butyl(diphenyl)silyl]-3-trimethylsilyl-3,4-dihydropyrazol-4-yl]ethanone

1-[(3S,4S)-2-[tert-butyl(diphenyl)silyl]-3-trimethylsilyl-3,4-dihydropyrazol-4-yl]ethanone (PubChem CID 102145623) has the molecular formula C24H34N2OSi2 and a molecular weight of 422.72 g/mol. Its IUPAC name is 1-[(3S,4S)-2-[tert-butyl(diphenyl)silyl]-3-trimethylsilyl-3,4-dihydropyrazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[(3S,4S)-2-[tert-butyl(diphenyl)silyl]-3-trimethylsilyl-3,4-dihydropyrazol-4-yl]ethanone
PubChem CID102145623
Molecular FormulaC24H34N2OSi2
Molecular Weight422.72 g/mol
Exact Mass422.22
IUPAC Name1-[(3S,4S)-2-[tert-butyl(diphenyl)silyl]-3-trimethylsilyl-3,4-dihydropyrazol-4-yl]ethanone
SMILESCC(=O)[C@@H]1C=NN([Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1[Si](C)(C)C
InChIInChI=1S/C24H34N2OSi2/c1-19(27)22-18-25-26(23(22)28(5,6)7)29(24(2,3)4,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-18,22-23H,1-7H3/t22-,23-/m0/s1
InChIKeyFFIVZWWODCVXPL-GOTSBHOMSA-N
XLogP4.30
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.72
LogP ≤ 54.30
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

tert-butyl-[3-(4-nitrophenyl)oxaziridin-2-yl]-diphenylsilane
CID 71517775
4-[dimethyl(phenyl)silyl]benzoic acid
CID 142466925
benzoic acid;tert-butyl-hydroxy-dimethylsilane
CID 71403721
1-[(1R,5R)-3-[tert-butyl(diphenyl)silyl]oxy-6-bicyclo[3.1.0]hexanyl]ethanone
CID 129323384
1-[tert-butyl(diphenyl)silyl]-2,2-difluoroethanone
CID 11472623
tert-butyl-dimethyl-triphenylsilylsilane
CID 14143704
tert-butyl-diphenyl-trimethylsilyloxysilane
CID 3876189
1-[tert-butyl(diphenyl)silyl]-2-fluoroethanone
CID 86211351
[tert-butyl(diphenyl)silyl] 2,2-dimethylpropanoate
CID 22445131
1-(tert-butyl-methyl-phenylsilyl)ethanol
CID 14898793
ethane;2-methylpropan-2-ol;1-phenylethanone
CID 91393199
ethane;1-phenylethanone;2,2,3,3-tetramethylbutane
CID 157312693

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-2-[tert-butyl(diphenyl)silyl]-3-trimethylsilyl-3,4-dihydropyrazol-4-yl]ethanone?
The IUPAC name of 1-[(3S,4S)-2-[tert-butyl(diphenyl)silyl]-3-trimethylsilyl-3,4-dihydropyrazol-4-yl]ethanone (CID 102145623) is 1-[(3S,4S)-2-[tert-butyl(diphenyl)silyl]-3-trimethylsilyl-3,4-dihydropyrazol-4-yl]ethanone.
What is the SMILES notation for 1-[(3S,4S)-2-[tert-butyl(diphenyl)silyl]-3-trimethylsilyl-3,4-dihydropyrazol-4-yl]ethanone?
The canonical SMILES for 1-[(3S,4S)-2-[tert-butyl(diphenyl)silyl]-3-trimethylsilyl-3,4-dihydropyrazol-4-yl]ethanone is CC(=O)[C@@H]1C=NN([Si](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@H]1[Si](C)(C)C.
What is the InChIKey of 1-[(3S,4S)-2-[tert-butyl(diphenyl)silyl]-3-trimethylsilyl-3,4-dihydropyrazol-4-yl]ethanone?
The InChIKey is FFIVZWWODCVXPL-GOTSBHOMSA-N. The full InChI is InChI=1S/C24H34N2OSi2/c1-19(27)22-18-25-26(23(22)28(5,6)7)29(24(2,3)4,20-14-10-8-11-15-20)21-16-12-9-13-17-21/h8-18,22-23H,1-7H3/t22-,23-/m0/s1.
What are the key properties of 1-[(3S,4S)-2-[tert-butyl(diphenyl)silyl]-3-trimethylsilyl-3,4-dihydropyrazol-4-yl]ethanone?
1-[(3S,4S)-2-[tert-butyl(diphenyl)silyl]-3-trimethylsilyl-3,4-dihydropyrazol-4-yl]ethanone has a molecular weight of 422.72 g/mol, XLogP of 4.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-2-[tert-butyl(diphenyl)silyl]-3-trimethylsilyl-3,4-dihydropyrazol-4-yl]ethanone is sourced from PubChem (CID 102145623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).