[3-(methoxymethyl)-1-methylpyrazol-5-yl]boronic acid

C6H11BN2O3 — CID 170902310

IUPAC[3-(methoxymethyl)-1-methylpyrazol-5-yl]boronic acid
SMILESCOCc1cc(B(O)O)n(C)n1
InChIInChI=1S/C6H11BN2O3/c1-9-6(7(10)11)3-5(8-9)4-12-2/h3,10-11H,4H2,1-2H3
InChIKeyHNLPKMGZPJPPHF-UHFFFAOYSA-N
MW169.98 g/mol
LogP-1.75
Rot. Bonds3

About [3-(methoxymethyl)-1-methylpyrazol-5-yl]boronic acid

[3-(methoxymethyl)-1-methylpyrazol-5-yl]boronic acid (PubChem CID 170902310) has the molecular formula C6H11BN2O3 and a molecular weight of 169.98 g/mol. Its IUPAC name is [3-(methoxymethyl)-1-methylpyrazol-5-yl]boronic acid.

Molecular Properties

Compound Name[3-(methoxymethyl)-1-methylpyrazol-5-yl]boronic acid
PubChem CID170902310
Molecular FormulaC6H11BN2O3
Molecular Weight169.98 g/mol
Exact Mass170.09
IUPAC Name[3-(methoxymethyl)-1-methylpyrazol-5-yl]boronic acid
SMILESCOCc1cc(B(O)O)n(C)n1
InChIInChI=1S/C6H11BN2O3/c1-9-6(7(10)11)3-5(8-9)4-12-2/h3,10-11H,4H2,1-2H3
InChIKeyHNLPKMGZPJPPHF-UHFFFAOYSA-N
XLogP-1.75
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.98
LogP ≤ 5-1.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-(methoxymethyl)-1-methylpyrazole
CID 105456952
1-[3-(methoxymethyl)-1-methylpyrazol-5-yl]-2-methylpropan-1-one
CID 170286805
1-ethyl-3-(methoxymethyl)pyrazole-5-carboxylic acid
CID 117216170
4-methoxy-6-(methoxymethyl)-2-methylpyrimidine
CID 13153425
3-(methoxymethyl)-1-propylpyrazole
CID 66016916
1-(3-ethyl-1-methylpyrazol-5-yl)-2-methoxyethanone
CID 105115019
3-(methoxymethyl)-1-propan-2-ylpyrazole-5-sulfonamide
CID 62407958
ethyl 3-(methoxymethyl)-5-(methylamino)pyrazole-1-carboxylate
CID 176977821
3-ethyl-5-methoxy-1-methylpyrazole
CID 165138939
[5-ethyl-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]hydrazine
CID 82270327
(1,5-dimethylpyrazol-3-yl)methoxyurea
CID 130610404
2-[5-chloro-3-(methoxymethyl)pyrazol-1-yl]-4,6-dimethylpyrimidine
CID 66021130

Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)-1-methylpyrazol-5-yl]boronic acid?
The IUPAC name of [3-(methoxymethyl)-1-methylpyrazol-5-yl]boronic acid (CID 170902310) is [3-(methoxymethyl)-1-methylpyrazol-5-yl]boronic acid.
What is the SMILES notation for [3-(methoxymethyl)-1-methylpyrazol-5-yl]boronic acid?
The canonical SMILES for [3-(methoxymethyl)-1-methylpyrazol-5-yl]boronic acid is COCc1cc(B(O)O)n(C)n1.
What is the InChIKey of [3-(methoxymethyl)-1-methylpyrazol-5-yl]boronic acid?
The InChIKey is HNLPKMGZPJPPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BN2O3/c1-9-6(7(10)11)3-5(8-9)4-12-2/h3,10-11H,4H2,1-2H3.
What are the key properties of [3-(methoxymethyl)-1-methylpyrazol-5-yl]boronic acid?
[3-(methoxymethyl)-1-methylpyrazol-5-yl]boronic acid has a molecular weight of 169.98 g/mol, XLogP of -1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)-1-methylpyrazol-5-yl]boronic acid is sourced from PubChem (CID 170902310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).