tert-butyl N-[4-[5-ethenyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]carbamate

C23H35N3O3Si — CID 151832153

IUPACtert-butyl N-[4-[5-ethenyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]carbamate
SMILESC=Cc1c(-c2ccc(NC(=O)OC(C)(C)C)cc2)c(C)nn1COCC[Si](C)(C)C
InChIInChI=1S/C23H35N3O3Si/c1-9-20-21(17(2)25-26(20)16-28-14-15-30(6,7)8)18-10-12-19(13-11-18)24-22(27)29-23(3,4)5/h9-13H,1,14-16H2,2-8H3,(H,24,27)
InChIKeySEWQGBHPSNDXJS-UHFFFAOYSA-N
MW429.64 g/mol
LogP6.16
Rot. Bonds8

About tert-butyl N-[4-[5-ethenyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]carbamate

tert-butyl N-[4-[5-ethenyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]carbamate (PubChem CID 151832153) has the molecular formula C23H35N3O3Si and a molecular weight of 429.64 g/mol. Its IUPAC name is tert-butyl N-[4-[5-ethenyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[5-ethenyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]carbamate
PubChem CID151832153
Molecular FormulaC23H35N3O3Si
Molecular Weight429.64 g/mol
Exact Mass429.24
IUPAC Nametert-butyl N-[4-[5-ethenyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]carbamate
SMILESC=Cc1c(-c2ccc(NC(=O)OC(C)(C)C)cc2)c(C)nn1COCC[Si](C)(C)C
InChIInChI=1S/C23H35N3O3Si/c1-9-20-21(17(2)25-26(20)16-28-14-15-30(6,7)8)18-10-12-19(13-11-18)24-22(27)29-23(3,4)5/h9-13H,1,14-16H2,2-8H3,(H,24,27)
InChIKeySEWQGBHPSNDXJS-UHFFFAOYSA-N
XLogP6.16
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.64
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[4-[5-methyl-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]phenyl]carbamate
CID 152533189
tert-butyl N-[4-[1-[5-methyl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]ethenyl]phenyl]carbamate
CID 171801319
(2S)-3-(5-bromo-2-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;tert-butyl N-[(2S)-3-(5-bromo-2-chlorophenyl)-1-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-1-oxopropan-2-yl]carbamate
CID 165108963
tert-butyl N-[1,1-dicyclopropyl-3-[4-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-(2-trimethylsilylethoxymethyl)anilino]-3-oxopropan-2-yl]carbamate
CID 175152188
tert-butyl N-[(1S)-1-cycloheptyl-2-[[6-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]amino]-2-oxoethyl]carbamate
CID 167525679
tert-butyl N-[5-iodo-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]carbamate
CID 66851624
tert-butyl N-[2-[5-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-yl]thiophen-3-yl]carbamate
CID 86717532
tert-butyl N-[4-(prop-2-enylamino)phenyl]carbamate
CID 112980140
tert-butyl N-[(2S)-1-[[6-chloro-5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-2-pyridinyl]amino]-3,3-dicyclopropyl-1-oxopropan-2-yl]carbamate
CID 169015659
N-[(2S)-1,1-dicyclopropyl-3-[4-[5-formyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[(2S)-1,1-dicyclopropyl-3-[4-[5-(hydroxymethyl)-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 165014506
N-[(2S)-1,1-dicyclopropyl-3-[4-[3-methyl-5-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide
CID 156779287
prop-2-enyl N-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 102027973

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[5-ethenyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[5-ethenyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]carbamate (CID 151832153) is tert-butyl N-[4-[5-ethenyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[5-ethenyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[5-ethenyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]carbamate is C=Cc1c(-c2ccc(NC(=O)OC(C)(C)C)cc2)c(C)nn1COCC[Si](C)(C)C.
What is the InChIKey of tert-butyl N-[4-[5-ethenyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]carbamate?
The InChIKey is SEWQGBHPSNDXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O3Si/c1-9-20-21(17(2)25-26(20)16-28-14-15-30(6,7)8)18-10-12-19(13-11-18)24-22(27)29-23(3,4)5/h9-13H,1,14-16H2,2-8H3,(H,24,27).
What are the key properties of tert-butyl N-[4-[5-ethenyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]carbamate?
tert-butyl N-[4-[5-ethenyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]carbamate has a molecular weight of 429.64 g/mol, XLogP of 6.16, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[5-ethenyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]phenyl]carbamate is sourced from PubChem (CID 151832153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).