trimethyl-[2-[1-[4-[(3S)-oxolan-3-yl]oxyphenyl]pyrazol-4-yl]ethynyl]silane

C18H22N2O2Si — CID 171439950

IUPACtrimethyl-[2-[1-[4-[(3S)-oxolan-3-yl]oxyphenyl]pyrazol-4-yl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1cnn(-c2ccc(O[C@H]3CCOC3)cc2)c1
InChIInChI=1S/C18H22N2O2Si/c1-23(2,3)11-9-15-12-19-20(13-15)16-4-6-17(7-5-16)22-18-8-10-21-14-18/h4-7,12-13,18H,8,10,14H2,1-3H3/t18-/m0/s1
InChIKeyHRWFJZJGTVMGBK-SFHVURJKSA-N
MW326.47 g/mol
LogP3.27
Rot. Bonds3

About trimethyl-[2-[1-[4-[(3S)-oxolan-3-yl]oxyphenyl]pyrazol-4-yl]ethynyl]silane

trimethyl-[2-[1-[4-[(3S)-oxolan-3-yl]oxyphenyl]pyrazol-4-yl]ethynyl]silane (PubChem CID 171439950) has the molecular formula C18H22N2O2Si and a molecular weight of 326.47 g/mol. Its IUPAC name is trimethyl-[2-[1-[4-[(3S)-oxolan-3-yl]oxyphenyl]pyrazol-4-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[1-[4-[(3S)-oxolan-3-yl]oxyphenyl]pyrazol-4-yl]ethynyl]silane
PubChem CID171439950
Molecular FormulaC18H22N2O2Si
Molecular Weight326.47 g/mol
Exact Mass326.15
IUPAC Nametrimethyl-[2-[1-[4-[(3S)-oxolan-3-yl]oxyphenyl]pyrazol-4-yl]ethynyl]silane
SMILESC[Si](C)(C)C#Cc1cnn(-c2ccc(O[C@H]3CCOC3)cc2)c1
InChIInChI=1S/C18H22N2O2Si/c1-23(2,3)11-9-15-12-19-20(13-15)16-4-6-17(7-5-16)22-18-8-10-21-14-18/h4-7,12-13,18H,8,10,14H2,1-3H3/t18-/m0/s1
InChIKeyHRWFJZJGTVMGBK-SFHVURJKSA-N
XLogP3.27
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[4-(2-methoxyethoxy)phenyl]pyrazol-4-yl]ethynyl-trimethylsilane
CID 171440005
(3R)-3-(4-iodophenoxy)oxolane
CID 155595271
3-[4-(3-chloroprop-1-ynyl)phenoxy]oxolane
CID 63563998
1-methyl-4-[4-(oxolan-3-yloxy)phenyl]pyrazol-5-amine
CID 117401972
(3S)-3-(4-propan-2-ylphenoxy)oxolane
CID 59112216
1-[4-(oxolan-3-yloxy)phenyl]ethanamine
CID 63556855
(3R)-3-(4-fluoro-3-methylphenoxy)oxolane
CID 170235553
(1S)-1-[4-(oxolan-3-yloxy)phenyl]ethanamine;hydrochloride
CID 175741673
4-[(3R)-oxolan-3-yl]oxybenzoic acid
CID 95979365
(1S)-1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanamine
CID 83123778
1-[5-(oxolan-3-yloxy)-2-pyridinyl]ethanone
CID 83119185
1-[4-(oxolan-3-yloxy)phenyl]propan-1-one
CID 63557977

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[1-[4-[(3S)-oxolan-3-yl]oxyphenyl]pyrazol-4-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[1-[4-[(3S)-oxolan-3-yl]oxyphenyl]pyrazol-4-yl]ethynyl]silane (CID 171439950) is trimethyl-[2-[1-[4-[(3S)-oxolan-3-yl]oxyphenyl]pyrazol-4-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[1-[4-[(3S)-oxolan-3-yl]oxyphenyl]pyrazol-4-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[1-[4-[(3S)-oxolan-3-yl]oxyphenyl]pyrazol-4-yl]ethynyl]silane is C[Si](C)(C)C#Cc1cnn(-c2ccc(O[C@H]3CCOC3)cc2)c1.
What is the InChIKey of trimethyl-[2-[1-[4-[(3S)-oxolan-3-yl]oxyphenyl]pyrazol-4-yl]ethynyl]silane?
The InChIKey is HRWFJZJGTVMGBK-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N2O2Si/c1-23(2,3)11-9-15-12-19-20(13-15)16-4-6-17(7-5-16)22-18-8-10-21-14-18/h4-7,12-13,18H,8,10,14H2,1-3H3/t18-/m0/s1.
What are the key properties of trimethyl-[2-[1-[4-[(3S)-oxolan-3-yl]oxyphenyl]pyrazol-4-yl]ethynyl]silane?
trimethyl-[2-[1-[4-[(3S)-oxolan-3-yl]oxyphenyl]pyrazol-4-yl]ethynyl]silane has a molecular weight of 326.47 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[1-[4-[(3S)-oxolan-3-yl]oxyphenyl]pyrazol-4-yl]ethynyl]silane is sourced from PubChem (CID 171439950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).