(4-tert-butyl-1-tritylpyrazol-3-yl)oxy-dimethylsilane

C28H32N2OSi — CID 173248895

IUPAC(4-tert-butyl-1-tritylpyrazol-3-yl)oxy-dimethylsilane
SMILESC[SiH](C)Oc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C(C)(C)C
InChIInChI=1S/C28H32N2OSi/c1-27(2,3)25-21-30(29-26(25)31-32(4)5)28(22-15-9-6-10-16-22,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-21,32H,1-5H3
InChIKeyIPTJMHQAEUBZSO-UHFFFAOYSA-N
MW440.66 g/mol
LogP6.38
Rot. Bonds6

About (4-tert-butyl-1-tritylpyrazol-3-yl)oxy-dimethylsilane

(4-tert-butyl-1-tritylpyrazol-3-yl)oxy-dimethylsilane (PubChem CID 173248895) has the molecular formula C28H32N2OSi and a molecular weight of 440.66 g/mol. Its IUPAC name is (4-tert-butyl-1-tritylpyrazol-3-yl)oxy-dimethylsilane.

Molecular Properties

Compound Name(4-tert-butyl-1-tritylpyrazol-3-yl)oxy-dimethylsilane
PubChem CID173248895
Molecular FormulaC28H32N2OSi
Molecular Weight440.66 g/mol
Exact Mass440.23
IUPAC Name(4-tert-butyl-1-tritylpyrazol-3-yl)oxy-dimethylsilane
SMILESC[SiH](C)Oc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C(C)(C)C
InChIInChI=1S/C28H32N2OSi/c1-27(2,3)25-21-30(29-26(25)31-32(4)5)28(22-15-9-6-10-16-22,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-21,32H,1-5H3
InChIKeyIPTJMHQAEUBZSO-UHFFFAOYSA-N
XLogP6.38
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.66
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-tert-butyl-1-tritylpyrazol-3-yl)oxy-dimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-tritylpyrazole-3-carbaldehyde
CID 91588623
3-methyl-1-tritylpyrazole
CID 71182235
4-iodo-1-tritylpyrazole
CID 15324479
3-(difluoromethoxy)-4-[4-(difluoromethylsulfonyl)-3-methylphenyl]-1-tritylpyrazole
CID 172724808
4-tert-butyl-1-[(2-chlorophenyl)-diphenylmethyl]imidazole
CID 164901726
4-phenyl-1H-pyrazole;4-phenyl-1-tritylpyrazole;hydrochloride
CID 158182364
CID 171375456
CID 171375456
(2-dimethylsilyloxy-1,1,2,2-tetraphenylethoxy)-dimethylsilane
CID 71334516
[3-(2-fluorophenyl)-1-tritylpyrazol-4-yl]boronic acid
CID 22032291
[3-(4-fluorophenyl)-1-tritylpyrazol-4-yl]boronic acid
CID 22032084
tert-butylbenzene;molecular nitrogen
CID 146464751
tert-butylbenzene;chloromethane;ethane
CID 91149652

Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-1-tritylpyrazol-3-yl)oxy-dimethylsilane?
The IUPAC name of (4-tert-butyl-1-tritylpyrazol-3-yl)oxy-dimethylsilane (CID 173248895) is (4-tert-butyl-1-tritylpyrazol-3-yl)oxy-dimethylsilane.
What is the SMILES notation for (4-tert-butyl-1-tritylpyrazol-3-yl)oxy-dimethylsilane?
The canonical SMILES for (4-tert-butyl-1-tritylpyrazol-3-yl)oxy-dimethylsilane is C[SiH](C)Oc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1C(C)(C)C.
What is the InChIKey of (4-tert-butyl-1-tritylpyrazol-3-yl)oxy-dimethylsilane?
The InChIKey is IPTJMHQAEUBZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2OSi/c1-27(2,3)25-21-30(29-26(25)31-32(4)5)28(22-15-9-6-10-16-22,23-17-11-7-12-18-23)24-19-13-8-14-20-24/h6-21,32H,1-5H3.
What are the key properties of (4-tert-butyl-1-tritylpyrazol-3-yl)oxy-dimethylsilane?
(4-tert-butyl-1-tritylpyrazol-3-yl)oxy-dimethylsilane has a molecular weight of 440.66 g/mol, XLogP of 6.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-1-tritylpyrazol-3-yl)oxy-dimethylsilane is sourced from PubChem (CID 173248895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).