4-(4,4,5-trimethyl-5-propan-2-yl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C11H19BN2O2 — CID 123557434

IUPAC4-(4,4,5-trimethyl-5-propan-2-yl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
SMILESCC(C)C1(C)OB(c2cn[nH]c2)OC1(C)C
InChIInChI=1S/C11H19BN2O2/c1-8(2)11(5)10(3,4)15-12(16-11)9-6-13-14-7-9/h6-8H,1-5H3,(H,13,14)
InChIKeyQGCBQWVSXZPFIO-UHFFFAOYSA-N
MW222.10 g/mol
LogP1.35
Rot. Bonds2

About 4-(4,4,5-trimethyl-5-propan-2-yl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

4-(4,4,5-trimethyl-5-propan-2-yl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (PubChem CID 123557434) has the molecular formula C11H19BN2O2 and a molecular weight of 222.10 g/mol. Its IUPAC name is 4-(4,4,5-trimethyl-5-propan-2-yl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-(4,4,5-trimethyl-5-propan-2-yl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
PubChem CID123557434
Molecular FormulaC11H19BN2O2
Molecular Weight222.10 g/mol
Exact Mass222.15
IUPAC Name4-(4,4,5-trimethyl-5-propan-2-yl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
SMILESCC(C)C1(C)OB(c2cn[nH]c2)OC1(C)C
InChIInChI=1S/C11H19BN2O2/c1-8(2)11(5)10(3,4)15-12(16-11)9-6-13-14-7-9/h6-8H,1-5H3,(H,13,14)
InChIKeyQGCBQWVSXZPFIO-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 4-(4,4,5-trimethyl-5-propan-2-yl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;piperidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 171847392
4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1H-pyrazole
CID 53406836
2-cyclohexylethanol;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 162725536
4-(4-chlorophenyl)-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 158046536
N,N-bis(4-phenylphenyl)-4-(4,4,5-trimethyl-5-propan-2-yl-1,3,2-dioxaborolan-2-yl)aniline
CID 174115756
tert-butyl-diphenyl-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethoxy]silane;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 157133258
1-(2-methoxyethyl)-4-(1-methylpyrazol-3-yl)pyrazole;1-(2-methoxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 161321446
methyl 1-[4-[4-(4,4,5-trimethyl-5-propan-2-yl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]cyclopropane-1-carboxylate
CID 123319492
3-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyridin-2-one
CID 172645494
propan-2-yl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole-2-carboxylate
CID 133061513
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
CID 171059256
N,N-dimethyl-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethanamine
CID 172738407

Frequently Asked Questions

What is the IUPAC name of 4-(4,4,5-trimethyl-5-propan-2-yl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?
The IUPAC name of 4-(4,4,5-trimethyl-5-propan-2-yl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CID 123557434) is 4-(4,4,5-trimethyl-5-propan-2-yl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole.
What is the SMILES notation for 4-(4,4,5-trimethyl-5-propan-2-yl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?
The canonical SMILES for 4-(4,4,5-trimethyl-5-propan-2-yl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is CC(C)C1(C)OB(c2cn[nH]c2)OC1(C)C.
What is the InChIKey of 4-(4,4,5-trimethyl-5-propan-2-yl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?
The InChIKey is QGCBQWVSXZPFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BN2O2/c1-8(2)11(5)10(3,4)15-12(16-11)9-6-13-14-7-9/h6-8H,1-5H3,(H,13,14).
What are the key properties of 4-(4,4,5-trimethyl-5-propan-2-yl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole?
4-(4,4,5-trimethyl-5-propan-2-yl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole has a molecular weight of 222.10 g/mol, XLogP of 1.35, 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-trimethyl-5-propan-2-yl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole is sourced from PubChem (CID 123557434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).