prop-2-enyl (2R,4R)-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]-4-hydroxypyrrolidine-1-carboxylate

C20H35N3O4Si — CID 54299173

IUPACprop-2-enyl (2R,4R)-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]-4-hydroxypyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O)C[C@H]1Cc1cnn(C)c1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H35N3O4Si/c1-8-9-26-19(25)23-13-17(24)11-16(23)10-15-12-21-22(5)18(15)14-27-28(6,7)20(2,3)4/h8,12,16-17,24H,1,9-11,13-14H2,2-7H3/t16-,17-/m1/s1
InChIKeySCYWFRBQBYMRJZ-IAGOWNOFSA-N
MW409.60 g/mol
LogP3.24
Rot. Bonds7

About prop-2-enyl (2R,4R)-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]-4-hydroxypyrrolidine-1-carboxylate

prop-2-enyl (2R,4R)-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 54299173) has the molecular formula C20H35N3O4Si and a molecular weight of 409.60 g/mol. Its IUPAC name is prop-2-enyl (2R,4R)-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl (2R,4R)-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]-4-hydroxypyrrolidine-1-carboxylate
PubChem CID54299173
Molecular FormulaC20H35N3O4Si
Molecular Weight409.60 g/mol
Exact Mass409.24
IUPAC Nameprop-2-enyl (2R,4R)-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]-4-hydroxypyrrolidine-1-carboxylate
SMILESC=CCOC(=O)N1C[C@H](O)C[C@H]1Cc1cnn(C)c1CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C20H35N3O4Si/c1-8-9-26-19(25)23-13-17(24)11-16(23)10-15-12-21-22(5)18(15)14-27-28(6,7)20(2,3)4/h8,12,16-17,24H,1,9-11,13-14H2,2-7H3/t16-,17-/m1/s1
InChIKeySCYWFRBQBYMRJZ-IAGOWNOFSA-N
XLogP3.24
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.60
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2R,4R)-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]-4-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of prop-2-enyl (2R,4R)-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]-4-hydroxypyrrolidine-1-carboxylate (CID 54299173) is prop-2-enyl (2R,4R)-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]-4-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for prop-2-enyl (2R,4R)-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]-4-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for prop-2-enyl (2R,4R)-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]-4-hydroxypyrrolidine-1-carboxylate is C=CCOC(=O)N1C[C@H](O)C[C@H]1Cc1cnn(C)c1CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of prop-2-enyl (2R,4R)-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]-4-hydroxypyrrolidine-1-carboxylate?
The InChIKey is SCYWFRBQBYMRJZ-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H35N3O4Si/c1-8-9-26-19(25)23-13-17(24)11-16(23)10-15-12-21-22(5)18(15)14-27-28(6,7)20(2,3)4/h8,12,16-17,24H,1,9-11,13-14H2,2-7H3/t16-,17-/m1/s1.
What are the key properties of prop-2-enyl (2R,4R)-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]-4-hydroxypyrrolidine-1-carboxylate?
prop-2-enyl (2R,4R)-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]-4-hydroxypyrrolidine-1-carboxylate has a molecular weight of 409.60 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (2R,4R)-2-[[5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylpyrazol-4-yl]methyl]-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 54299173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).