4-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)-1-propan-2-ylpyrazole

C10H17BN2O2 — CID 156792838

IUPAC4-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)-1-propan-2-ylpyrazole
SMILESCC1OB(c2cnn(C(C)C)c2)OC1C
InChIInChI=1S/C10H17BN2O2/c1-7(2)13-6-10(5-12-13)11-14-8(3)9(4)15-11/h5-9H,1-4H3
InChIKeyRRWYQGPMIFKJLD-UHFFFAOYSA-N
MW208.07 g/mol
LogP0.98
Rot. Bonds2

About 4-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)-1-propan-2-ylpyrazole

4-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)-1-propan-2-ylpyrazole (PubChem CID 156792838) has the molecular formula C10H17BN2O2 and a molecular weight of 208.07 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)-1-propan-2-ylpyrazole
PubChem CID156792838
Molecular FormulaC10H17BN2O2
Molecular Weight208.07 g/mol
Exact Mass208.14
IUPAC Name4-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)-1-propan-2-ylpyrazole
SMILESCC1OB(c2cnn(C(C)C)c2)OC1C
InChIInChI=1S/C10H17BN2O2/c1-7(2)13-6-10(5-12-13)11-14-8(3)9(4)15-11/h5-9H,1-4H3
InChIKeyRRWYQGPMIFKJLD-UHFFFAOYSA-N
XLogP0.98
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.07
LogP ≤ 50.98
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 4-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)-1-propan-2-ylpyrazole?
The IUPAC name of 4-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)-1-propan-2-ylpyrazole (CID 156792838) is 4-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 4-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)-1-propan-2-ylpyrazole?
The canonical SMILES for 4-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)-1-propan-2-ylpyrazole is CC1OB(c2cnn(C(C)C)c2)OC1C.
What is the InChIKey of 4-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)-1-propan-2-ylpyrazole?
The InChIKey is RRWYQGPMIFKJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BN2O2/c1-7(2)13-6-10(5-12-13)11-14-8(3)9(4)15-11/h5-9H,1-4H3.
What are the key properties of 4-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)-1-propan-2-ylpyrazole?
4-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)-1-propan-2-ylpyrazole has a molecular weight of 208.07 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1,3,2-dioxaborolan-2-yl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 156792838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).