tert-butyl-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)-diphenylsilane

C27H32N2Si — CID 101481600

IUPACtert-butyl-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)-diphenylsilane
SMILESCC1C=C([Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(c2ccccc2)N1C
InChIInChI=1S/C27H32N2Si/c1-22-21-26(29(28(22)5)23-15-9-6-10-16-23)30(27(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-22H,1-5H3
InChIKeyYIHKIPSQFWDZKG-UHFFFAOYSA-N
MW412.65 g/mol
LogP5.23
Rot. Bonds4

About tert-butyl-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)-diphenylsilane

tert-butyl-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)-diphenylsilane (PubChem CID 101481600) has the molecular formula C27H32N2Si and a molecular weight of 412.65 g/mol. Its IUPAC name is tert-butyl-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)-diphenylsilane
PubChem CID101481600
Molecular FormulaC27H32N2Si
Molecular Weight412.65 g/mol
Exact Mass412.23
IUPAC Nametert-butyl-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)-diphenylsilane
SMILESCC1C=C([Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(c2ccccc2)N1C
InChIInChI=1S/C27H32N2Si/c1-22-21-26(29(28(22)5)23-15-9-6-10-16-23)30(27(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-22H,1-5H3
InChIKeyYIHKIPSQFWDZKG-UHFFFAOYSA-N
XLogP5.23
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.65
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-(4-methylphenyl)-diphenylsilane
CID 140525033
2,5-dimethyl-1-phenyl-3H-pyrazole-3-selenol
CID 171384384
tert-butyl-(1,2-dimethyl-3H-indazol-3-yl)-diphenylsilane
CID 11682496
(amino-tert-butyl-phenylsilyl)benzene
CID 14007717
1,1-bis(triphenylsilyl)ethanamine
CID 174310291
[(3R)-2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl]-(2-methyl-1H-indol-3-yl)diazene
CID 136877648
[(3S)-2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl]-(2-methyl-1H-indol-3-yl)diazene
CID 136828025
tert-butyl-(1,5-dimethyl-2-phenylpyrazol-2-ium-3-yl)-diphenylsilane iodide
CID 11663829
[[[ditert-butyl(fluoro)silyl]-[ditert-butyl(methyl)silyl]amino]-difluorosilyl]benzene
CID 15202010
tert-butyl-(2-methoxyphenyl)-diphenylsilane
CID 134946104
N,N-dimethyl-1-phenyl-1-triphenylsilylethanamine
CID 4663301
zinc;(1,2-dimethylindol-3-yl)-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)diazene;dichloride;hydrochloride
CID 170853821

Frequently Asked Questions

What is the IUPAC name of tert-butyl-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)-diphenylsilane?
The IUPAC name of tert-butyl-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)-diphenylsilane (CID 101481600) is tert-butyl-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)-diphenylsilane.
What is the SMILES notation for tert-butyl-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)-diphenylsilane?
The canonical SMILES for tert-butyl-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)-diphenylsilane is CC1C=C([Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(c2ccccc2)N1C.
What is the InChIKey of tert-butyl-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)-diphenylsilane?
The InChIKey is YIHKIPSQFWDZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2Si/c1-22-21-26(29(28(22)5)23-15-9-6-10-16-23)30(27(2,3)4,24-17-11-7-12-18-24)25-19-13-8-14-20-25/h6-22H,1-5H3.
What are the key properties of tert-butyl-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)-diphenylsilane?
tert-butyl-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)-diphenylsilane has a molecular weight of 412.65 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-(2,3-dimethyl-1-phenyl-3H-pyrazol-5-yl)-diphenylsilane is sourced from PubChem (CID 101481600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).