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

C11H19BN2O2 — CID 146050293

IUPAC5-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
SMILESCCc1[nH]ncc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H19BN2O2/c1-6-9-8(7-13-14-9)12-15-10(2,3)11(4,5)16-12/h7H,6H2,1-5H3,(H,13,14)
InChIKeyWLZWUSJSNIFOGJ-UHFFFAOYSA-N
MW222.10 g/mol
LogP1.27
Rot. Bonds2

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

5-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (PubChem CID 146050293) has the molecular formula C11H19BN2O2 and a molecular weight of 222.10 g/mol. Its IUPAC name is 5-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name5-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
PubChem CID146050293
Molecular FormulaC11H19BN2O2
Molecular Weight222.10 g/mol
Exact Mass222.15
IUPAC Name5-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
SMILESCCc1[nH]ncc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C11H19BN2O2/c1-6-9-8(7-13-14-9)12-15-10(2,3)11(4,5)16-12/h7H,6H2,1-5H3,(H,13,14)
InChIKeyWLZWUSJSNIFOGJ-UHFFFAOYSA-N
XLogP1.27
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.10
LogP ≤ 51.27
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 5-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?
The IUPAC name of 5-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CID 146050293) is 5-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.
What is the SMILES notation for 5-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?
The canonical SMILES for 5-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is CCc1[nH]ncc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of 5-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?
The InChIKey is WLZWUSJSNIFOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BN2O2/c1-6-9-8(7-13-14-9)12-15-10(2,3)11(4,5)16-12/h7H,6H2,1-5H3,(H,13,14).
What are the key properties of 5-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?
5-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole has a molecular weight of 222.10 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 146050293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).