[1-(pyridin-4-ylmethyl)pyrazol-4-yl]oxyboronic acid

C9H10BN3O3 — CID 142798487

IUPAC[1-(pyridin-4-ylmethyl)pyrazol-4-yl]oxyboronic acid
SMILESOB(O)Oc1cnn(Cc2ccncc2)c1
InChIInChI=1S/C9H10BN3O3/c14-10(15)16-9-5-12-13(7-9)6-8-1-3-11-4-2-8/h1-5,7,14-15H,6H2
InChIKeyBPRLYCBZXAPJEJ-UHFFFAOYSA-N
MW219.01 g/mol
LogP-0.33
Rot. Bonds4

About [1-(pyridin-4-ylmethyl)pyrazol-4-yl]oxyboronic acid

[1-(pyridin-4-ylmethyl)pyrazol-4-yl]oxyboronic acid (PubChem CID 142798487) has the molecular formula C9H10BN3O3 and a molecular weight of 219.01 g/mol. Its IUPAC name is [1-(pyridin-4-ylmethyl)pyrazol-4-yl]oxyboronic acid.

Molecular Properties

Compound Name[1-(pyridin-4-ylmethyl)pyrazol-4-yl]oxyboronic acid
PubChem CID142798487
Molecular FormulaC9H10BN3O3
Molecular Weight219.01 g/mol
Exact Mass219.08
IUPAC Name[1-(pyridin-4-ylmethyl)pyrazol-4-yl]oxyboronic acid
SMILESOB(O)Oc1cnn(Cc2ccncc2)c1
InChIInChI=1S/C9H10BN3O3/c14-10(15)16-9-5-12-13(7-9)6-8-1-3-11-4-2-8/h1-5,7,14-15H,6H2
InChIKeyBPRLYCBZXAPJEJ-UHFFFAOYSA-N
XLogP-0.33
TPSA80.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.01
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-(4-ethylphenyl)pyrazol-1-yl]methyl]pyridine
CID 123700183
(2S)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]butanamide
CID 119871213
2-(methylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide
CID 120704186
3-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide
CID 119871229
2-[(1-benzylpyrazol-4-yl)oxymethyl]phenol
CID 117234046
1-benzyl-4-thiophen-2-yloxypyrazole
CID 117233985
2-(cyclopropylmethylamino)-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]acetamide;dihydrochloride
CID 119871204
(2R)-2-amino-N-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]propanamide;dihydrochloride
CID 119871202
(1-benzylpyrazol-4-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 9226790
1-benzyl-4-(2-fluorophenoxy)pyrazole
CID 117234109
1-benzyl-4-(2-methoxyphenoxy)pyrazole
CID 117234112
1-(3-fluorophenyl)-3-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]urea
CID 51103649

Frequently Asked Questions

What is the IUPAC name of [1-(pyridin-4-ylmethyl)pyrazol-4-yl]oxyboronic acid?
The IUPAC name of [1-(pyridin-4-ylmethyl)pyrazol-4-yl]oxyboronic acid (CID 142798487) is [1-(pyridin-4-ylmethyl)pyrazol-4-yl]oxyboronic acid.
What is the SMILES notation for [1-(pyridin-4-ylmethyl)pyrazol-4-yl]oxyboronic acid?
The canonical SMILES for [1-(pyridin-4-ylmethyl)pyrazol-4-yl]oxyboronic acid is OB(O)Oc1cnn(Cc2ccncc2)c1.
What is the InChIKey of [1-(pyridin-4-ylmethyl)pyrazol-4-yl]oxyboronic acid?
The InChIKey is BPRLYCBZXAPJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BN3O3/c14-10(15)16-9-5-12-13(7-9)6-8-1-3-11-4-2-8/h1-5,7,14-15H,6H2.
What are the key properties of [1-(pyridin-4-ylmethyl)pyrazol-4-yl]oxyboronic acid?
[1-(pyridin-4-ylmethyl)pyrazol-4-yl]oxyboronic acid has a molecular weight of 219.01 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(pyridin-4-ylmethyl)pyrazol-4-yl]oxyboronic acid is sourced from PubChem (CID 142798487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).