[3-(furan-3-yl)-4-methyl-1H-pyrazol-5-yl]boronic acid

C8H9BN2O3 — CID 67463493

IUPAC[3-(furan-3-yl)-4-methyl-1H-pyrazol-5-yl]boronic acid
SMILESCc1c(-c2ccoc2)n[nH]c1B(O)O
InChIInChI=1S/C8H9BN2O3/c1-5-7(6-2-3-14-4-6)10-11-8(5)9(12)13/h2-4,12-13H,1H3,(H,10,11)
InChIKeyHFYHTKBROKNGNQ-UHFFFAOYSA-N
MW191.98 g/mol
LogP-0.34
Rot. Bonds2

About [3-(furan-3-yl)-4-methyl-1H-pyrazol-5-yl]boronic acid

[3-(furan-3-yl)-4-methyl-1H-pyrazol-5-yl]boronic acid (PubChem CID 67463493) has the molecular formula C8H9BN2O3 and a molecular weight of 191.98 g/mol. Its IUPAC name is [3-(furan-3-yl)-4-methyl-1H-pyrazol-5-yl]boronic acid.

Molecular Properties

Compound Name[3-(furan-3-yl)-4-methyl-1H-pyrazol-5-yl]boronic acid
PubChem CID67463493
Molecular FormulaC8H9BN2O3
Molecular Weight191.98 g/mol
Exact Mass192.07
IUPAC Name[3-(furan-3-yl)-4-methyl-1H-pyrazol-5-yl]boronic acid
SMILESCc1c(-c2ccoc2)n[nH]c1B(O)O
InChIInChI=1S/C8H9BN2O3/c1-5-7(6-2-3-14-4-6)10-11-8(5)9(12)13/h2-4,12-13H,1H3,(H,10,11)
InChIKeyHFYHTKBROKNGNQ-UHFFFAOYSA-N
XLogP-0.34
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.98
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-(furan-3-yl)-4-methyl-1H-pyrazol-5-yl]boronic acid?
The IUPAC name of [3-(furan-3-yl)-4-methyl-1H-pyrazol-5-yl]boronic acid (CID 67463493) is [3-(furan-3-yl)-4-methyl-1H-pyrazol-5-yl]boronic acid.
What is the SMILES notation for [3-(furan-3-yl)-4-methyl-1H-pyrazol-5-yl]boronic acid?
The canonical SMILES for [3-(furan-3-yl)-4-methyl-1H-pyrazol-5-yl]boronic acid is Cc1c(-c2ccoc2)n[nH]c1B(O)O.
What is the InChIKey of [3-(furan-3-yl)-4-methyl-1H-pyrazol-5-yl]boronic acid?
The InChIKey is HFYHTKBROKNGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BN2O3/c1-5-7(6-2-3-14-4-6)10-11-8(5)9(12)13/h2-4,12-13H,1H3,(H,10,11).
What are the key properties of [3-(furan-3-yl)-4-methyl-1H-pyrazol-5-yl]boronic acid?
[3-(furan-3-yl)-4-methyl-1H-pyrazol-5-yl]boronic acid has a molecular weight of 191.98 g/mol, XLogP of -0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(furan-3-yl)-4-methyl-1H-pyrazol-5-yl]boronic acid is sourced from PubChem (CID 67463493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).