2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpyrazol-1-yl]acetic acid

C13H24N2O3Si — CID 174156217

IUPAC2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpyrazol-1-yl]acetic acid
SMILESCc1cc(CO[Si](C)(C)C(C)(C)C)nn1CC(=O)O
InChIInChI=1S/C13H24N2O3Si/c1-10-7-11(14-15(10)8-12(16)17)9-18-19(5,6)13(2,3)4/h7H,8-9H2,1-6H3,(H,16,17)
InChIKeyPSCHTPZDJAWWPK-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.80
Rot. Bonds5

About 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpyrazol-1-yl]acetic acid

2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpyrazol-1-yl]acetic acid (PubChem CID 174156217) has the molecular formula C13H24N2O3Si and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpyrazol-1-yl]acetic acid
PubChem CID174156217
Molecular FormulaC13H24N2O3Si
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpyrazol-1-yl]acetic acid
SMILESCc1cc(CO[Si](C)(C)C(C)(C)C)nn1CC(=O)O
InChIInChI=1S/C13H24N2O3Si/c1-10-7-11(14-15(10)8-12(16)17)9-18-19(5,6)13(2,3)4/h7H,8-9H2,1-6H3,(H,16,17)
InChIKeyPSCHTPZDJAWWPK-UHFFFAOYSA-N
XLogP2.80
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-(2-ethoxy-2-oxoethyl)pyrazole-1-carboxylate
CID 91161411
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-methoxy-N,5-dimethylpyrazole-3-carboxamide
CID 170987272
bis[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6-dimethylphenyl] carbonate
CID 10325443
ethyl 2-(aminomethyl)-6-[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carboxylate
CID 131747122
acetic acid;[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl] acetate
CID 90798603
2-(5-methylpyrazol-1-yl)acetic acid
CID 7018400
tert-butyl N-[2-[2-[2-[3,5-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazol-1-yl]ethoxy]ethoxy]ethoxy]carbamate
CID 174021807
1-benzyl-5-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrazole-3-carbaldehyde
CID 140753736
tert-butyl-[(4-ethyl-3-methylphenyl)methoxy]-dimethylsilane
CID 167684834
tert-butyl-[(2,5-dimethylthiophen-3-yl)methoxy]-dimethylsilane
CID 175923025
ethyl 4-amino-3-[[tert-butyl(dimethyl)silyl]oxymethyl]benzoate
CID 24807327
3,5-bis[[2,6-bis[[tert-butyl(dimethyl)silyl]oxymethyl]pyridine-4-carbonyl]amino]benzoic acid
CID 174048850

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpyrazol-1-yl]acetic acid (CID 174156217) is 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpyrazol-1-yl]acetic acid is Cc1cc(CO[Si](C)(C)C(C)(C)C)nn1CC(=O)O.
What is the InChIKey of 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpyrazol-1-yl]acetic acid?
The InChIKey is PSCHTPZDJAWWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3Si/c1-10-7-11(14-15(10)8-12(16)17)9-18-19(5,6)13(2,3)4/h7H,8-9H2,1-6H3,(H,16,17).
What are the key properties of 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpyrazol-1-yl]acetic acid?
2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpyrazol-1-yl]acetic acid has a molecular weight of 284.43 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-methylpyrazol-1-yl]acetic acid is sourced from PubChem (CID 174156217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).