(1-methylpyrazol-4-yl)-di(propan-2-yloxy)borane

C10H19BN2O2 — CID 123702283

IUPAC(1-methylpyrazol-4-yl)-di(propan-2-yloxy)borane
SMILESCC(C)OB(OC(C)C)c1cnn(C)c1
InChIInChI=1S/C10H19BN2O2/c1-8(2)14-11(15-9(3)4)10-6-12-13(5)7-10/h6-9H,1-5H3
InChIKeyMGHSIDCDRNTKGU-UHFFFAOYSA-N
MW210.09 g/mol
LogP0.97
Rot. Bonds5

About (1-methylpyrazol-4-yl)-di(propan-2-yloxy)borane

(1-methylpyrazol-4-yl)-di(propan-2-yloxy)borane (PubChem CID 123702283) has the molecular formula C10H19BN2O2 and a molecular weight of 210.09 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-di(propan-2-yloxy)borane.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-di(propan-2-yloxy)borane
PubChem CID123702283
Molecular FormulaC10H19BN2O2
Molecular Weight210.09 g/mol
Exact Mass210.15
IUPAC Name(1-methylpyrazol-4-yl)-di(propan-2-yloxy)borane
SMILESCC(C)OB(OC(C)C)c1cnn(C)c1
InChIInChI=1S/C10H19BN2O2/c1-8(2)14-11(15-9(3)4)10-6-12-13(5)7-10/h6-9H,1-5H3
InChIKeyMGHSIDCDRNTKGU-UHFFFAOYSA-N
XLogP0.97
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.09
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1-methylpyrazol-4-yl)-di(propan-2-yloxy)borane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-di(propan-2-yloxy)borane?
The IUPAC name of (1-methylpyrazol-4-yl)-di(propan-2-yloxy)borane (CID 123702283) is (1-methylpyrazol-4-yl)-di(propan-2-yloxy)borane.
What is the SMILES notation for (1-methylpyrazol-4-yl)-di(propan-2-yloxy)borane?
The canonical SMILES for (1-methylpyrazol-4-yl)-di(propan-2-yloxy)borane is CC(C)OB(OC(C)C)c1cnn(C)c1.
What is the InChIKey of (1-methylpyrazol-4-yl)-di(propan-2-yloxy)borane?
The InChIKey is MGHSIDCDRNTKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BN2O2/c1-8(2)14-11(15-9(3)4)10-6-12-13(5)7-10/h6-9H,1-5H3.
What are the key properties of (1-methylpyrazol-4-yl)-di(propan-2-yloxy)borane?
(1-methylpyrazol-4-yl)-di(propan-2-yloxy)borane has a molecular weight of 210.09 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-di(propan-2-yloxy)borane is sourced from PubChem (CID 123702283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).