4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride

C9H16BClN2O2 — CID 90108270

IUPAC4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride
SMILESCC1(C)OB(c2cn[nH]c2)OC1(C)C.Cl
InChIInChI=1S/C9H15BN2O2.ClH/c1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;/h5-6H,1-4H3,(H,11,12);1H
InChIKeyAMXPGLRHGMHGGW-UHFFFAOYSA-N
MW230.50 g/mol
LogP1.13
Rot. Bonds1

About 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride

4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride (PubChem CID 90108270) has the molecular formula C9H16BClN2O2 and a molecular weight of 230.50 g/mol. Its IUPAC name is 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride.

Molecular Properties

Compound Name4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride
PubChem CID90108270
Molecular FormulaC9H16BClN2O2
Molecular Weight230.50 g/mol
Exact Mass230.10
IUPAC Name4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride
SMILESCC1(C)OB(c2cn[nH]c2)OC1(C)C.Cl
InChIInChI=1S/C9H15BN2O2.ClH/c1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;/h5-6H,1-4H3,(H,11,12);1H
InChIKeyAMXPGLRHGMHGGW-UHFFFAOYSA-N
XLogP1.13
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.50
LogP ≤ 51.13
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
3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 21931539
5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4-(trifluoromethyl)-1H-pyrazole
CID 72213419
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-chloro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 139022839
4-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole hydrochloride
CID 145710672
4-(1,3,2-Dioxaborolan-2-yl)pyrazole
CID 139599802
4-[4-(2,2-difluoroethyl)-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl]-1H-pyrazole
CID 140908175
4-Fluoropyrazole-5-boronic acid pinacol ester
CID 72213459
4-(4,4,5,5-tetramethyl-[1,3]dioxolan-2-ylboranyl)-1H-pyrazole
CID 23078453
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(1H-pyrazol-4-yl)borinic acid
CID 45789754

Frequently Asked Questions

What is the IUPAC name of 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride?
The IUPAC name of 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride (CID 90108270) is 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride.
What is the SMILES notation for 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride?
The canonical SMILES for 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride is CC1(C)OB(c2cn[nH]c2)OC1(C)C.Cl.
What is the InChIKey of 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride?
The InChIKey is AMXPGLRHGMHGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BN2O2.ClH/c1-8(2)9(3,4)14-10(13-8)7-5-11-12-6-7;/h5-6H,1-4H3,(H,11,12);1H.
What are the key properties of 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride?
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride has a molecular weight of 230.50 g/mol, XLogP of 1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hydrochloride is sourced from PubChem (CID 90108270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).