1-(1-methylpyrazol-4-yl)-N-triphenylsilyloxymethanimine

C23H21N3OSi — CID 123164745

IUPAC1-(1-methylpyrazol-4-yl)-N-triphenylsilyloxymethanimine
SMILESCn1cc(C=NO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C23H21N3OSi/c1-26-19-20(17-24-26)18-25-27-28(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-19H,1H3
InChIKeyPFPFCZYYRZDHDI-UHFFFAOYSA-N
MW383.53 g/mol
LogP2.44
Rot. Bonds6

About 1-(1-methylpyrazol-4-yl)-N-triphenylsilyloxymethanimine

1-(1-methylpyrazol-4-yl)-N-triphenylsilyloxymethanimine (PubChem CID 123164745) has the molecular formula C23H21N3OSi and a molecular weight of 383.53 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-N-triphenylsilyloxymethanimine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-N-triphenylsilyloxymethanimine
PubChem CID123164745
Molecular FormulaC23H21N3OSi
Molecular Weight383.53 g/mol
Exact Mass383.15
IUPAC Name1-(1-methylpyrazol-4-yl)-N-triphenylsilyloxymethanimine
SMILESCn1cc(C=NO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C23H21N3OSi/c1-26-19-20(17-24-26)18-25-27-28(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-19H,1H3
InChIKeyPFPFCZYYRZDHDI-UHFFFAOYSA-N
XLogP2.44
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 52.44
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(1-methylpyrazol-4-yl)-N-trimethylsilyloxymethanimine
CID 87078957
[(1-methylpyrazol-4-yl)methylideneamino] acetate
CID 91407565
(NZ)-N-[(1-methylpyrazol-4-yl)methylidene]hydroxylamine
CID 6161558
(S)-2-methyl-N-[(1-methylpyrazol-4-yl)methylidene]propane-2-sulfinamide
CID 86711991
N-(2,2-diphenylpropyl)-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 74290300
2-methyl-3-triphenylsilyloxyiminopropanenitrile
CID 140887362
CID 174773162
CID 174773162
(E)-3-(1-methylpyrazol-4-yl)-N-(1-phenylethyl)prop-2-enamide
CID 17393178
N-methyl-N-[(1-phenylpyrazol-4-yl)methylideneamino]methanamine
CID 4068272
[(Z)-(1-methylpyrazol-4-yl)methylideneamino]thiourea
CID 51723378
N,1-dimethyl-N-triphenylsilylpyrazol-4-amine
CID 140624452
1-methyl-4-(2-methylprop-1-enyl)pyrazole
CID 155941655

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-N-triphenylsilyloxymethanimine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-N-triphenylsilyloxymethanimine (CID 123164745) is 1-(1-methylpyrazol-4-yl)-N-triphenylsilyloxymethanimine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-N-triphenylsilyloxymethanimine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-N-triphenylsilyloxymethanimine is Cn1cc(C=NO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-N-triphenylsilyloxymethanimine?
The InChIKey is PFPFCZYYRZDHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3OSi/c1-26-19-20(17-24-26)18-25-27-28(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-19H,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-N-triphenylsilyloxymethanimine?
1-(1-methylpyrazol-4-yl)-N-triphenylsilyloxymethanimine has a molecular weight of 383.53 g/mol, XLogP of 2.44, 6 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-triphenylsilyloxymethanimine is sourced from PubChem (CID 123164745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).