[2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrazol-3-yl]methanol

C13H26N2O2Si — CID 172573589

IUPAC[2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrazol-3-yl]methanol
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)n1nccc1CO
InChIInChI=1S/C13H26N2O2Si/c1-11(15-12(9-16)7-8-14-15)10-17-18(5,6)13(2,3)4/h7-8,11,16H,9-10H2,1-6H3/t11-/m0/s1
InChIKeyUPBIIGJPICZTOU-NSHDSACASA-N
MW270.45 g/mol
LogP2.96
Rot. Bonds5

About [2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrazol-3-yl]methanol

[2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrazol-3-yl]methanol (PubChem CID 172573589) has the molecular formula C13H26N2O2Si and a molecular weight of 270.45 g/mol. Its IUPAC name is [2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrazol-3-yl]methanol.

Molecular Properties

Compound Name[2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrazol-3-yl]methanol
PubChem CID172573589
Molecular FormulaC13H26N2O2Si
Molecular Weight270.45 g/mol
Exact Mass270.18
IUPAC Name[2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrazol-3-yl]methanol
SMILESC[C@@H](CO[Si](C)(C)C(C)(C)C)n1nccc1CO
InChIInChI=1S/C13H26N2O2Si/c1-11(15-12(9-16)7-8-14-15)10-17-18(5,6)13(2,3)4/h7-8,11,16H,9-10H2,1-6H3/t11-/m0/s1
InChIKeyUPBIIGJPICZTOU-NSHDSACASA-N
XLogP2.96
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrazol-3-yl]methanol 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 [2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrazol-3-yl]methanol?
The IUPAC name of [2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrazol-3-yl]methanol (CID 172573589) is [2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrazol-3-yl]methanol.
What is the SMILES notation for [2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrazol-3-yl]methanol?
The canonical SMILES for [2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrazol-3-yl]methanol is C[C@@H](CO[Si](C)(C)C(C)(C)C)n1nccc1CO.
What is the InChIKey of [2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrazol-3-yl]methanol?
The InChIKey is UPBIIGJPICZTOU-NSHDSACASA-N. The full InChI is InChI=1S/C13H26N2O2Si/c1-11(15-12(9-16)7-8-14-15)10-17-18(5,6)13(2,3)4/h7-8,11,16H,9-10H2,1-6H3/t11-/m0/s1.
What are the key properties of [2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrazol-3-yl]methanol?
[2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrazol-3-yl]methanol has a molecular weight of 270.45 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]pyrazol-3-yl]methanol is sourced from PubChem (CID 172573589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).