di(propan-2-yloxy)-(1H-pyrazol-4-yl)borane

C9H17BN2O2 — CID 123300079

IUPACdi(propan-2-yloxy)-(1H-pyrazol-4-yl)borane
SMILESCC(C)OB(OC(C)C)c1cn[nH]c1
InChIInChI=1S/C9H17BN2O2/c1-7(2)13-10(14-8(3)4)9-5-11-12-6-9/h5-8H,1-4H3,(H,11,12)
InChIKeyKBSLPIXZFWNYAS-UHFFFAOYSA-N
MW196.06 g/mol
LogP0.95
Rot. Bonds5

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

di(propan-2-yloxy)-(1H-pyrazol-4-yl)borane (PubChem CID 123300079) has the molecular formula C9H17BN2O2 and a molecular weight of 196.06 g/mol. Its IUPAC name is di(propan-2-yloxy)-(1H-pyrazol-4-yl)borane.

Molecular Properties

Compound Namedi(propan-2-yloxy)-(1H-pyrazol-4-yl)borane
PubChem CID123300079
Molecular FormulaC9H17BN2O2
Molecular Weight196.06 g/mol
Exact Mass196.14
IUPAC Namedi(propan-2-yloxy)-(1H-pyrazol-4-yl)borane
SMILESCC(C)OB(OC(C)C)c1cn[nH]c1
InChIInChI=1S/C9H17BN2O2/c1-7(2)13-10(14-8(3)4)9-5-11-12-6-9/h5-8H,1-4H3,(H,11,12)
InChIKeyKBSLPIXZFWNYAS-UHFFFAOYSA-N
XLogP0.95
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.06
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 2774010
4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-1H-pyrazole
CID 53406836
4-Methylpyrazole-5-boronic acid pinacol ester
CID 72213458
4-(1,3,2-Dioxaborolan-2-yl)pyrazole
CID 139599802
4-[4-(trifluoromethyl)-1,3,2-dioxaborolan-2-yl]-1H-pyrazole
CID 141710560
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(1H-pyrazol-4-yl)borinic acid
CID 45789754
dimethoxy(1H-pyrazol-4-yl)borane
CID 59420136
3,3-dimethylbutan-2-yloxy(1H-pyrazol-4-yl)borinic acid
CID 66922965
dimethyl(1H-pyrazol-4-yl)borane
CID 68082111
4-(4,4-dimethyl-5-methylidene-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 69632750
2,3-dimethyl-3-[methyl(1H-pyrazol-4-yl)boranyl]oxybutan-2-ol
CID 70889803
CID 89090998
CID 89090998

Frequently Asked Questions

What is the IUPAC name of di(propan-2-yloxy)-(1H-pyrazol-4-yl)borane?
The IUPAC name of di(propan-2-yloxy)-(1H-pyrazol-4-yl)borane (CID 123300079) is di(propan-2-yloxy)-(1H-pyrazol-4-yl)borane.
What is the SMILES notation for di(propan-2-yloxy)-(1H-pyrazol-4-yl)borane?
The canonical SMILES for di(propan-2-yloxy)-(1H-pyrazol-4-yl)borane is CC(C)OB(OC(C)C)c1cn[nH]c1.
What is the InChIKey of di(propan-2-yloxy)-(1H-pyrazol-4-yl)borane?
The InChIKey is KBSLPIXZFWNYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BN2O2/c1-7(2)13-10(14-8(3)4)9-5-11-12-6-9/h5-8H,1-4H3,(H,11,12).
What are the key properties of di(propan-2-yloxy)-(1H-pyrazol-4-yl)borane?
di(propan-2-yloxy)-(1H-pyrazol-4-yl)borane has a molecular weight of 196.06 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for di(propan-2-yloxy)-(1H-pyrazol-4-yl)borane is sourced from PubChem (CID 123300079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).