(1-thiophen-2-ylpyrazol-4-yl)boronic acid

C7H7BN2O2S — CID 66521616

IUPAC(1-thiophen-2-ylpyrazol-4-yl)boronic acid
SMILESOB(O)c1cnn(-c2cccs2)c1
InChIInChI=1S/C7H7BN2O2S/c11-8(12)6-4-9-10(5-6)7-2-1-3-13-7/h1-5,11-12H
InChIKeyCWPRELAQYHJDIA-UHFFFAOYSA-N
MW194.02 g/mol
LogP-0.39
Rot. Bonds2

About (1-thiophen-2-ylpyrazol-4-yl)boronic acid

(1-thiophen-2-ylpyrazol-4-yl)boronic acid (PubChem CID 66521616) has the molecular formula C7H7BN2O2S and a molecular weight of 194.02 g/mol. Its IUPAC name is (1-thiophen-2-ylpyrazol-4-yl)boronic acid.

Molecular Properties

Compound Name(1-thiophen-2-ylpyrazol-4-yl)boronic acid
PubChem CID66521616
Molecular FormulaC7H7BN2O2S
Molecular Weight194.02 g/mol
Exact Mass194.03
IUPAC Name(1-thiophen-2-ylpyrazol-4-yl)boronic acid
SMILESOB(O)c1cnn(-c2cccs2)c1
InChIInChI=1S/C7H7BN2O2S/c11-8(12)6-4-9-10(5-6)7-2-1-3-13-7/h1-5,11-12H
InChIKeyCWPRELAQYHJDIA-UHFFFAOYSA-N
XLogP-0.39
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.02
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 (1-thiophen-2-ylpyrazol-4-yl)boronic acid?
The IUPAC name of (1-thiophen-2-ylpyrazol-4-yl)boronic acid (CID 66521616) is (1-thiophen-2-ylpyrazol-4-yl)boronic acid.
What is the SMILES notation for (1-thiophen-2-ylpyrazol-4-yl)boronic acid?
The canonical SMILES for (1-thiophen-2-ylpyrazol-4-yl)boronic acid is OB(O)c1cnn(-c2cccs2)c1.
What is the InChIKey of (1-thiophen-2-ylpyrazol-4-yl)boronic acid?
The InChIKey is CWPRELAQYHJDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BN2O2S/c11-8(12)6-4-9-10(5-6)7-2-1-3-13-7/h1-5,11-12H.
What are the key properties of (1-thiophen-2-ylpyrazol-4-yl)boronic acid?
(1-thiophen-2-ylpyrazol-4-yl)boronic acid has a molecular weight of 194.02 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-thiophen-2-ylpyrazol-4-yl)boronic acid is sourced from PubChem (CID 66521616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).