2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydropyrazole

C10H19BN2O2 — CID 153496579

IUPAC2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydropyrazole
SMILESCN1CC(B2OC(C)(C)C(C)(C)O2)=CN1
InChIInChI=1S/C10H19BN2O2/c1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8/h6,12H,7H2,1-5H3
InChIKeyYCDNKIFMEVFEDW-UHFFFAOYSA-N
MW210.09 g/mol
LogP0.95
Rot. Bonds1

About 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydropyrazole

2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydropyrazole (PubChem CID 153496579) has the molecular formula C10H19BN2O2 and a molecular weight of 210.09 g/mol. Its IUPAC name is 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydropyrazole.

Molecular Properties

Compound Name2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydropyrazole
PubChem CID153496579
Molecular FormulaC10H19BN2O2
Molecular Weight210.09 g/mol
Exact Mass210.15
IUPAC Name2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydropyrazole
SMILESCN1CC(B2OC(C)(C)C(C)(C)O2)=CN1
InChIInChI=1S/C10H19BN2O2/c1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8/h6,12H,7H2,1-5H3
InChIKeyYCDNKIFMEVFEDW-UHFFFAOYSA-N
XLogP0.95
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.09
LogP ≤ 50.95
H-Bond Donors ≤ 51
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 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydropyrazole?
The IUPAC name of 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydropyrazole (CID 153496579) is 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydropyrazole.
What is the SMILES notation for 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydropyrazole?
The canonical SMILES for 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydropyrazole is CN1CC(B2OC(C)(C)C(C)(C)O2)=CN1.
What is the InChIKey of 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydropyrazole?
The InChIKey is YCDNKIFMEVFEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BN2O2/c1-9(2)10(3,4)15-11(14-9)8-6-12-13(5)7-8/h6,12H,7H2,1-5H3.
What are the key properties of 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydropyrazole?
2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydropyrazole has a molecular weight of 210.09 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydropyrazole is sourced from PubChem (CID 153496579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).