2,3-dimethyl-3-[methyl(1H-pyrazol-4-yl)boranyl]oxybutan-2-ol

C10H19BN2O2 — CID 70889803

IUPAC2,3-dimethyl-3-[methyl(1H-pyrazol-4-yl)boranyl]oxybutan-2-ol
SMILESCB(OC(C)(C)C(C)(C)O)c1cn[nH]c1
InChIInChI=1S/C10H19BN2O2/c1-9(2,14)10(3,4)15-11(5)8-6-12-13-7-8/h6-7,14H,1-5H3,(H,12,13)
InChIKeyCONMMDUDQAJQOU-UHFFFAOYSA-N
MW210.09 g/mol
LogP0.80
Rot. Bonds4

About 2,3-dimethyl-3-[methyl(1H-pyrazol-4-yl)boranyl]oxybutan-2-ol

2,3-dimethyl-3-[methyl(1H-pyrazol-4-yl)boranyl]oxybutan-2-ol (PubChem CID 70889803) has the molecular formula C10H19BN2O2 and a molecular weight of 210.09 g/mol. Its IUPAC name is 2,3-dimethyl-3-[methyl(1H-pyrazol-4-yl)boranyl]oxybutan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-[methyl(1H-pyrazol-4-yl)boranyl]oxybutan-2-ol
PubChem CID70889803
Molecular FormulaC10H19BN2O2
Molecular Weight210.09 g/mol
Exact Mass210.15
IUPAC Name2,3-dimethyl-3-[methyl(1H-pyrazol-4-yl)boranyl]oxybutan-2-ol
SMILESCB(OC(C)(C)C(C)(C)O)c1cn[nH]c1
InChIInChI=1S/C10H19BN2O2/c1-9(2,14)10(3,4)15-11(5)8-6-12-13-7-8/h6-7,14H,1-5H3,(H,12,13)
InChIKeyCONMMDUDQAJQOU-UHFFFAOYSA-N
XLogP0.80
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.09
LogP ≤ 50.80
H-Bond Donors ≤ 52
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-Methylpyrazole-5-boronic acid pinacol ester
CID 72213458
3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 146157884
4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole hydrochloride
CID 145710672
4-Fluoropyrazole-5-boronic acid pinacol ester
CID 72213459
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(1H-pyrazol-4-yl)borinic acid
CID 45789754
Pyrazole-5-boronic acid pinacol ester
CID 51358414
3,3-dimethylbutan-2-yloxy(1H-pyrazol-4-yl)borinic acid
CID 66922965
(3-hydroxy-2,3-dimethylbutan-2-yl)oxyboronic acid;1H-pyrazole
CID 68475284
boric acid;2,3-dimethylbutane-2,3-diol;1H-pyrazole
CID 68475286
2,3-dimethylbutane-2,3-diol;1H-pyrazol-4-yloxyboronic acid
CID 68476467
4-(4,4,5,5-tetraethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 68636383

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-[methyl(1H-pyrazol-4-yl)boranyl]oxybutan-2-ol?
The IUPAC name of 2,3-dimethyl-3-[methyl(1H-pyrazol-4-yl)boranyl]oxybutan-2-ol (CID 70889803) is 2,3-dimethyl-3-[methyl(1H-pyrazol-4-yl)boranyl]oxybutan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-[methyl(1H-pyrazol-4-yl)boranyl]oxybutan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-[methyl(1H-pyrazol-4-yl)boranyl]oxybutan-2-ol is CB(OC(C)(C)C(C)(C)O)c1cn[nH]c1.
What is the InChIKey of 2,3-dimethyl-3-[methyl(1H-pyrazol-4-yl)boranyl]oxybutan-2-ol?
The InChIKey is CONMMDUDQAJQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BN2O2/c1-9(2,14)10(3,4)15-11(5)8-6-12-13-7-8/h6-7,14H,1-5H3,(H,12,13).
What are the key properties of 2,3-dimethyl-3-[methyl(1H-pyrazol-4-yl)boranyl]oxybutan-2-ol?
2,3-dimethyl-3-[methyl(1H-pyrazol-4-yl)boranyl]oxybutan-2-ol has a molecular weight of 210.09 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-[methyl(1H-pyrazol-4-yl)boranyl]oxybutan-2-ol is sourced from PubChem (CID 70889803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).