1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

C15H18BFN2O2 — CID 90189368

IUPAC1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILESCC1(C)OB(c2ccnn2-c2ccc(F)cc2)OC1(C)C
InChIInChI=1S/C15H18BFN2O2/c1-14(2)15(3,4)21-16(20-14)13-9-10-18-19(13)12-7-5-11(17)6-8-12/h5-10H,1-4H3
InChIKeyFRYIQWYHWIZOKF-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.31
Rot. Bonds2

About 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole

1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 90189368) has the molecular formula C15H18BFN2O2 and a molecular weight of 288.13 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
PubChem CID90189368
Molecular FormulaC15H18BFN2O2
Molecular Weight288.13 g/mol
Exact Mass288.14
IUPAC Name1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILESCC1(C)OB(c2ccnn2-c2ccc(F)cc2)OC1(C)C
InChIInChI=1S/C15H18BFN2O2/c1-14(2)15(3,4)21-16(20-14)13-9-10-18-19(13)12-7-5-11(17)6-8-12/h5-10H,1-4H3
InChIKeyFRYIQWYHWIZOKF-UHFFFAOYSA-N
XLogP2.31
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.31
H-Bond Donors ≤ 50
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 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The IUPAC name of 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 90189368) is 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The canonical SMILES for 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is CC1(C)OB(c2ccnn2-c2ccc(F)cc2)OC1(C)C.
What is the InChIKey of 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The InChIKey is FRYIQWYHWIZOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BFN2O2/c1-14(2)15(3,4)21-16(20-14)13-9-10-18-19(13)12-7-5-11(17)6-8-12/h5-10H,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 288.13 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 90189368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).