methyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methylpyrazole-3-carboxylate

C15H28N2O3Si — CID 172572921

IUPACmethyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(C)nn1C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28N2O3Si/c1-11-9-13(14(18)19-6)17(16-11)10-12(2)20-21(7,8)15(3,4)5/h9,12H,10H2,1-8H3/t12-/m0/s1
InChIKeyPDNWSSZJTTZRIN-LBPRGKRZSA-N
MW312.49 g/mol
LogP3.39
Rot. Bonds5

About methyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methylpyrazole-3-carboxylate

methyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methylpyrazole-3-carboxylate (PubChem CID 172572921) has the molecular formula C15H28N2O3Si and a molecular weight of 312.49 g/mol. Its IUPAC name is methyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methylpyrazole-3-carboxylate
PubChem CID172572921
Molecular FormulaC15H28N2O3Si
Molecular Weight312.49 g/mol
Exact Mass312.19
IUPAC Namemethyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(C)nn1C[C@H](C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C15H28N2O3Si/c1-11-9-13(14(18)19-6)17(16-11)10-12(2)20-21(7,8)15(3,4)5/h9,12H,10H2,1-8H3/t12-/m0/s1
InChIKeyPDNWSSZJTTZRIN-LBPRGKRZSA-N
XLogP3.39
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.49
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methylpyrazole-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methylpyrazole-3-carboxylate?
The IUPAC name of methyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methylpyrazole-3-carboxylate (CID 172572921) is methyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methylpyrazole-3-carboxylate?
The canonical SMILES for methyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methylpyrazole-3-carboxylate is COC(=O)c1cc(C)nn1C[C@H](C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of methyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methylpyrazole-3-carboxylate?
The InChIKey is PDNWSSZJTTZRIN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H28N2O3Si/c1-11-9-13(14(18)19-6)17(16-11)10-12(2)20-21(7,8)15(3,4)5/h9,12H,10H2,1-8H3/t12-/m0/s1.
What are the key properties of methyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methylpyrazole-3-carboxylate?
methyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methylpyrazole-3-carboxylate has a molecular weight of 312.49 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-2-[tert-butyl(dimethyl)silyl]oxypropyl]-5-methylpyrazole-3-carboxylate is sourced from PubChem (CID 172572921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).