4-(4-methylpyrazol-1-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

C15H20BN3O2 — CID 66520846

IUPAC4-(4-methylpyrazol-1-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCc1cnn(-c2ccnc(B3OC(C)(C)C(C)(C)O3)c2)c1
InChIInChI=1S/C15H20BN3O2/c1-11-9-18-19(10-11)12-6-7-17-13(8-12)16-20-14(2,3)15(4,5)21-16/h6-10H,1-5H3
InChIKeyVIOKYWSDQIJGCO-UHFFFAOYSA-N
MW285.16 g/mol
LogP1.87
Rot. Bonds2

About 4-(4-methylpyrazol-1-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

4-(4-methylpyrazol-1-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (PubChem CID 66520846) has the molecular formula C15H20BN3O2 and a molecular weight of 285.16 g/mol. Its IUPAC name is 4-(4-methylpyrazol-1-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.

Molecular Properties

Compound Name4-(4-methylpyrazol-1-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
PubChem CID66520846
Molecular FormulaC15H20BN3O2
Molecular Weight285.16 g/mol
Exact Mass285.16
IUPAC Name4-(4-methylpyrazol-1-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
SMILESCc1cnn(-c2ccnc(B3OC(C)(C)C(C)(C)O3)c2)c1
InChIInChI=1S/C15H20BN3O2/c1-11-9-18-19(10-11)12-6-7-17-13(8-12)16-20-14(2,3)15(4,5)21-16/h6-10H,1-5H3
InChIKeyVIOKYWSDQIJGCO-UHFFFAOYSA-N
XLogP1.87
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 51.87
H-Bond Donors ≤ 50
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 4-(4-methylpyrazol-1-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The IUPAC name of 4-(4-methylpyrazol-1-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CID 66520846) is 4-(4-methylpyrazol-1-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine.
What is the SMILES notation for 4-(4-methylpyrazol-1-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The canonical SMILES for 4-(4-methylpyrazol-1-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is Cc1cnn(-c2ccnc(B3OC(C)(C)C(C)(C)O3)c2)c1.
What is the InChIKey of 4-(4-methylpyrazol-1-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
The InChIKey is VIOKYWSDQIJGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BN3O2/c1-11-9-18-19(10-11)12-6-7-17-13(8-12)16-20-14(2,3)15(4,5)21-16/h6-10H,1-5H3.
What are the key properties of 4-(4-methylpyrazol-1-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine?
4-(4-methylpyrazol-1-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine has a molecular weight of 285.16 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpyrazol-1-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine is sourced from PubChem (CID 66520846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).