4-(4,4,5,5-tetramethyl-[1,3]dioxolan-2-ylboranyl)-1H-pyrazole

C10H16BN2O2 — CID 23078453

IUPAC—
SMILESCC1(C)OC([B]c2cn[nH]c2)OC1(C)C
InChIInChI=1S/C10H16BN2O2/c1-9(2)10(3,4)15-8(14-9)11-7-5-12-13-6-7/h5-6,8H,1-4H3,(H,12,13)
InChIKeyIGZORNPHQLESNY-UHFFFAOYSA-N
MW207.06 g/mol
LogP0.63
Rot. Bonds2

About 4-(4,4,5,5-tetramethyl-[1,3]dioxolan-2-ylboranyl)-1H-pyrazole

4-(4,4,5,5-tetramethyl-[1,3]dioxolan-2-ylboranyl)-1H-pyrazole (PubChem CID 23078453) has the molecular formula C10H16BN2O2 and a molecular weight of 207.06 g/mol.

Molecular Properties

Compound Name4-(4,4,5,5-tetramethyl-[1,3]dioxolan-2-ylboranyl)-1H-pyrazole
PubChem CID23078453
Molecular FormulaC10H16BN2O2
Molecular Weight207.06 g/mol
Exact Mass207.13
IUPAC Name—
SMILESCC1(C)OC([B]c2cn[nH]c2)OC1(C)C
InChIInChI=1S/C10H16BN2O2/c1-9(2)10(3,4)15-8(14-9)11-7-5-12-13-6-7/h5-6,8H,1-4H3,(H,12,13)
InChIKeyIGZORNPHQLESNY-UHFFFAOYSA-N
XLogP0.63
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.06
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(4,4,5,5-tetramethyl-[1,3]dioxolan-2-ylboranyl)-1H-pyrazole?
The IUPAC name of 4-(4,4,5,5-tetramethyl-[1,3]dioxolan-2-ylboranyl)-1H-pyrazole (CID 23078453) is not available.
What is the SMILES notation for 4-(4,4,5,5-tetramethyl-[1,3]dioxolan-2-ylboranyl)-1H-pyrazole?
The canonical SMILES for 4-(4,4,5,5-tetramethyl-[1,3]dioxolan-2-ylboranyl)-1H-pyrazole is CC1(C)OC([B]c2cn[nH]c2)OC1(C)C.
What is the InChIKey of 4-(4,4,5,5-tetramethyl-[1,3]dioxolan-2-ylboranyl)-1H-pyrazole?
The InChIKey is IGZORNPHQLESNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BN2O2/c1-9(2)10(3,4)15-8(14-9)11-7-5-12-13-6-7/h5-6,8H,1-4H3,(H,12,13).
What are the key properties of 4-(4,4,5,5-tetramethyl-[1,3]dioxolan-2-ylboranyl)-1H-pyrazole?
4-(4,4,5,5-tetramethyl-[1,3]dioxolan-2-ylboranyl)-1H-pyrazole has a molecular weight of 207.06 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,5,5-tetramethyl-[1,3]dioxolan-2-ylboranyl)-1H-pyrazole is sourced from PubChem (CID 23078453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).