1-(1-methylpyrazol-4-yl)-N-(5-methyl-2-trimethylsilyloxyphenyl)-1-phenylmethanimine

C21H25N3OSi — CID 90464897

IUPAC1-(1-methylpyrazol-4-yl)-N-(5-methyl-2-trimethylsilyloxyphenyl)-1-phenylmethanimine
SMILESCc1ccc(O[Si](C)(C)C)c(/N=C(\c2ccccc2)c2cnn(C)c2)c1
InChIInChI=1S/C21H25N3OSi/c1-16-11-12-20(25-26(3,4)5)19(13-16)23-21(17-9-7-6-8-10-17)18-14-22-24(2)15-18/h6-15H,1-5H3/b23-21+
InChIKeyHQYHHBPUOLGICX-XTQSDGFTSA-N
MW363.54 g/mol
LogP5.11
Rot. Bonds5

About 1-(1-methylpyrazol-4-yl)-N-(5-methyl-2-trimethylsilyloxyphenyl)-1-phenylmethanimine

1-(1-methylpyrazol-4-yl)-N-(5-methyl-2-trimethylsilyloxyphenyl)-1-phenylmethanimine (PubChem CID 90464897) has the molecular formula C21H25N3OSi and a molecular weight of 363.54 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-N-(5-methyl-2-trimethylsilyloxyphenyl)-1-phenylmethanimine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-N-(5-methyl-2-trimethylsilyloxyphenyl)-1-phenylmethanimine
PubChem CID90464897
Molecular FormulaC21H25N3OSi
Molecular Weight363.54 g/mol
Exact Mass363.18
IUPAC Name1-(1-methylpyrazol-4-yl)-N-(5-methyl-2-trimethylsilyloxyphenyl)-1-phenylmethanimine
SMILESCc1ccc(O[Si](C)(C)C)c(/N=C(\c2ccccc2)c2cnn(C)c2)c1
InChIInChI=1S/C21H25N3OSi/c1-16-11-12-20(25-26(3,4)5)19(13-16)23-21(17-9-7-6-8-10-17)18-14-22-24(2)15-18/h6-15H,1-5H3/b23-21+
InChIKeyHQYHHBPUOLGICX-XTQSDGFTSA-N
XLogP5.11
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.54
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-N-(2-methoxy-4-methylphenyl)-1-phenylmethanimine
CID 118868238
(2-methoxy-4-methylphenyl) 1-methylpyrazole-4-carboxylate
CID 47118840
N-(5-methyl-2-trimethylsilyloxyphenyl)-1-thiophen-2-ylmethanimine
CID 90457690
(NZ)-N-[(4-methylphenyl)-phenylmethylidene]hydroxylamine
CID 6303063
5-methyl-2-(1-methylpyrazol-4-yl)oxybenzoic acid
CID 116792581
(2-methylphenyl) 1-methylpyrazole-4-carboxylate
CID 78817311
dichlorocobalt;N-(2,4-dimethylphenyl)-1-[6-[N-(2,4-dimethylphenyl)-C-phenylcarbonimidoyl]-2-pyridinyl]-1-phenylmethanimine
CID 142048555
N-(2-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide
CID 82757494
(2-bromo-5-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963931
ethyl 2-(benzhydrylideneamino)-2-(1-methylpyrazol-4-yl)acetate
CID 118318070
ethyl (2S)-2-(benzhydrylideneamino)-2-(1-methylpyrazol-4-yl)acetate
CID 125482183
N-[1-(3-methoxypropyl)-3-methylpyrazol-4-yl]-1,1-diphenylmethanimine
CID 166161121

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-N-(5-methyl-2-trimethylsilyloxyphenyl)-1-phenylmethanimine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-N-(5-methyl-2-trimethylsilyloxyphenyl)-1-phenylmethanimine (CID 90464897) is 1-(1-methylpyrazol-4-yl)-N-(5-methyl-2-trimethylsilyloxyphenyl)-1-phenylmethanimine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-N-(5-methyl-2-trimethylsilyloxyphenyl)-1-phenylmethanimine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-N-(5-methyl-2-trimethylsilyloxyphenyl)-1-phenylmethanimine is Cc1ccc(O[Si](C)(C)C)c(/N=C(\c2ccccc2)c2cnn(C)c2)c1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-N-(5-methyl-2-trimethylsilyloxyphenyl)-1-phenylmethanimine?
The InChIKey is HQYHHBPUOLGICX-XTQSDGFTSA-N. The full InChI is InChI=1S/C21H25N3OSi/c1-16-11-12-20(25-26(3,4)5)19(13-16)23-21(17-9-7-6-8-10-17)18-14-22-24(2)15-18/h6-15H,1-5H3/b23-21+.
What are the key properties of 1-(1-methylpyrazol-4-yl)-N-(5-methyl-2-trimethylsilyloxyphenyl)-1-phenylmethanimine?
1-(1-methylpyrazol-4-yl)-N-(5-methyl-2-trimethylsilyloxyphenyl)-1-phenylmethanimine has a molecular weight of 363.54 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-N-(5-methyl-2-trimethylsilyloxyphenyl)-1-phenylmethanimine is sourced from PubChem (CID 90464897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).